CAS号:98474-78-3-拟人参皂苷RT5 - Pseudoginsenoside Rt5-科华智慧

1. 主信息

英文名:	Pseudoginsenoside Rt5
中文名:	拟人参皂苷RT5
CAS编号:	98474-78-3
化学分子式：	C₃₆H₆₂O₁₀
化学分子量：	654.9 g/mol
SMILES：	CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C
来源：	-
结构类型：	-
其它名称或标识：	24(R)-pseudoginsenoside RT(5) pseudoginsenoside RT5

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	1480	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 108113 0 1 0 0 0 0 0999 V2000 -3.6005 0.2758 0.8228 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4564 -3.0191 -0.7295 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 0.9652 -0.6893 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -4.8110 -0.8635 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9245 2.2680 -0.1864 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5018 1.7334 1.9365 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2152 1.3245 1.0909 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2085 4.2659 1.2593 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6767 5.4008 -0.9137 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 3.3134 -2.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 -0.5637 -0.2444 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3278 -0.0608 0.3748 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1705 -2.1224 0.0117 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5781 -2.8077 -0.2834 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4956 -0.8289 -0.3036 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7095 -1.9828 0.4471 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7638 -0.0824 0.1472 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2662 0.1283 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 -2.8786 -0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7686 1.3874 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 -2.3326 -0.0559 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6361 -0.4717 0.0836 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2993 1.3895 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1624 -2.6415 0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5394 -4.2566 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 -0.2139 -1.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3609 -0.1998 1.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 -0.2307 -0.8029 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8341 -2.9414 -1.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0884 -4.2071 0.4210 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8007 -4.7028 1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8634 -1.3934 -0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9988 -2.1520 -0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9504 -2.2385 1.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4678 -0.3576 -2.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8433 -0.7361 0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0229 0.6239 -0.1088 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0379 1.4233 0.0954 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4490 1.7065 0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0664 2.1604 0.9531 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4775 3.4860 0.3119 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8298 1.4018 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4461 3.0816 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2919 3.4266 -0.9372 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2540 4.2937 -0.1218 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0094 4.1770 -1.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0803 -2.2447 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.6860 -1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4402 -2.0187 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0587 -0.4096 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1715 1.1958 0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 0.0468 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -2.8456 -1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0135 -3.9454 -0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 2.1297 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5682 1.6783 -0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.5517 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 -0.3613 -0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0639 -0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5622 1.7935 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 -4.9838 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -4.3580 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5734 -0.7762 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 -0.3931 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0368 0.8483 -1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 -1.2068 2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 0.0550 2.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6517 0.4878 2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5514 -3.7275 -2.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -3.2115 -2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2359 -2.0359 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9337 -4.6038 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7996 -5.7991 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 -4.3521 2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3795 -2.2306 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4061 -1.7849 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9565 -2.6848 -0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2408 -1.0893 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4933 -2.3181 -1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9283 -2.7350 1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4092 -2.5263 2.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1561 -1.1693 1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 -3.9671 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7946 0.4606 -2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3248 -0.2518 -2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0129 -1.3215 -2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4013 -0.6736 1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7822 -1.2915 0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 0.5490 -0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4981 1.0905 -0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1849 -5.7756 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 2.3273 1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1551 3.3186 -0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5904 1.3124 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 0.4784 2.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1398 2.1952 2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7693 3.8587 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1135 3.1054 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4391 3.3686 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 3.0992 -1.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7473 4.6987 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7744 2.4284 2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5731 1.1547 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4714 4.4664 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2136 5.0690 -1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6377 4.4166 2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1155 5.0516 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 3.8036 -2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 38 1 0 0 0 0 2 21 1 0 0 0 0 2 83 1 0 0 0 0 3 28 1 0 0 0 0 3 37 1 0 0 0 0 4 30 1 0 0 0 0 4 91 1 0 0 0 0 5 38 1 0 0 0 0 5 44 1 0 0 0 0 6 39 1 0 0 0 0 6102 1 0 0 0 0 7 40 1 0 0 0 0 7103 1 0 0 0 0 8 41 1 0 0 0 0 8106 1 0 0 0 0 9 45 1 0 0 0 0 9107 1 0 0 0 0 10 46 1 0 0 0 0 10108 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 48 1 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 16 49 1 0 0 0 0 17 23 1 0 0 0 0 17 28 1 0 0 0 0 17 50 1 0 0 0 0 18 22 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 21 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 23 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 30 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 25 31 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 32 1 0 0 0 0 28 35 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 36 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 37 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 39 1 0 0 0 0 37 89 1 0 0 0 0 38 40 1 0 0 0 0 38 90 1 0 0 0 0 39 42 1 0 0 0 0 39 43 1 0 0 0 0 40 41 1 0 0 0 0 40 92 1 0 0 0 0 41 45 1 0 0 0 0 41 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44100 1 0 0 0 0 45101 1 0 0 0 0 46104 1 0 0 0 0 46105 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C36H62O10/c1-31(2)23(39)10-12-33(5)22-15-19(38)25-18(36(8)14-11-24(46-36)32(3,4)43)9-13-34(25,6)35(22,7)16-20(29(31)33)44-30-28(42)27(41)26(40)21(17-37)45-30/h18-30,37-43H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23-,24+,25-,26+,27-,28+,29-,30+,33+,34+,35+,36-/m0/s1

4.3 InChlKey

PSOUXXNNRFNUAY-JLXGCTMESA-N

4.4 Canonical SMILES

CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C

4.5 lsomeric SMILES

C[C@]1(CC[C@@H](O1)C(C)(C)O)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 46 51 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 5.76548 1.40215 0 0
M  V30 2 C 4.91623 1.89246 0 0
M  V30 3 C 4.91596 2.83826 0 0
M  V30 4 C 4.09647 3.31139 0 0
M  V30 5 C 3.27726 2.83873 0 0
M  V30 6 C 3.27753 1.89293 0 0
M  V30 7 C 4.09701 1.4198 0 0
M  V30 8 C 4.097 0.473505 0 0
M  V30 9 C 3.27749 0.000344443 0 0
M  V30 10 C 2.458 0.473477 0 0
M  V30 11 C 2.45802 1.41977 0 0
M  V30 12 C 1.63903 1.89262 0 0
M  V30 13 C 0.819522 1.41945 0 0
M  V30 14 C 0.819506 0.473161 0 0
M  V30 15 C 1.6385 0.000315595 0 0
M  V30 16 C 0.819549 -1.41815 0 0
M  V30 17 C 0.000556838 -0.9453 0 0
M  V30 18 C 0 -0 0 0
M  V30 19 C -1.63731 0.9453 0 0
M  V30 20 C -2.06646 0.103032 0 0
M  V30 21 C -3.00013 0.250909 0 0
M  V30 22 C -3.148 1.18457 0 0
M  V30 23 O -2.30574 1.61373 0 0
M  V30 24 C -3.99027 1.61373 0 0
M  V30 25 C -4.93428 1.56425 0 0
M  V30 26 C -4.41943 0.77146 0 0
M  V30 27 O -4.03975 2.55773 0 0
M  V30 28 C -0.998371 0.248628 0 0
M  V30 29 C 2.47723 -0.483927 0 0
M  V30 30 O -0.0192105 1.9037 0 0
M  V30 31 C 2.45797 -1.46349 0 0
M  V30 32 O 4.91651 0.000358866 0 0
M  V30 33 C 4.53162 -0.864123 0 0
M  V30 34 C 5.08784 -1.62969 0 0
M  V30 35 C 4.70294 -2.49417 0 0
M  V30 36 C 3.76184 -2.59309 0 0
M  V30 37 C 3.20562 -1.82752 0 0
M  V30 38 O 3.59051 -0.963038 0 0
M  V30 39 C 2.26451 -1.92643 0 0
M  V30 40 O 1.87962 -2.79092 0 0
M  V30 41 O 3.37694 -3.45757 0 0
M  V30 42 O 5.25916 -3.25974 0 0
M  V30 43 O 6.02895 -1.53078 0 0
M  V30 44 C 2.444 2.37417 0 0
M  V30 45 O 5.74942 3.31962 0 0
M  V30 46 C 5.7499 2.37346 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 7
M  V30 3 1 2 3
M  V30 4 1 2 46
M  V30 5 1 3 4
M  V30 6 1 3 45
M  V30 7 1 4 5
M  V30 8 1 5 6
M  V30 9 1 6 11
M  V30 10 1 6 7
M  V30 11 1 6 44
M  V30 12 1 7 8
M  V30 13 1 8 9
M  V30 14 1 8 32
M  V30 15 1 9 10
M  V30 16 1 10 15
M  V30 17 1 10 11
M  V30 18 1 10 31
M  V30 19 1 11 12
M  V30 20 1 12 13
M  V30 21 1 13 14
M  V30 22 1 13 30
M  V30 23 1 14 18
M  V30 24 1 14 15
M  V30 25 1 15 16
M  V30 26 1 15 29
M  V30 27 1 16 17
M  V30 28 1 17 18
M  V30 29 1 18 19
M  V30 30 1 19 23
M  V30 31 1 19 20
M  V30 32 1 19 28
M  V30 33 1 20 21
M  V30 34 1 21 22
M  V30 35 1 22 23
M  V30 36 1 22 24
M  V30 37 1 24 25
M  V30 38 1 24 26
M  V30 39 1 24 27
M  V30 40 1 32 33
M  V30 41 1 33 38
M  V30 42 1 33 34
M  V30 43 1 34 35
M  V30 44 1 34 43
M  V30 45 1 35 36
M  V30 46 1 35 42
M  V30 47 1 36 37
M  V30 48 1 36 41
M  V30 49 1 37 38
M  V30 50 1 37 39
M  V30 51 1 39 40
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型