CAS号:174721-08-5-人参皂苷Rh4 - Ginsenoside Rh4-科华智慧

1. 主信息

英文名:	Ginsenoside Rh4
中文名:	人参皂苷Rh4
CAS编号:	174721-08-5
化学分子式：	C₃₆H₆₀O₈
化学分子量：	620.9 g/mol
SMILES：	CC(=CCC=C(C)C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)C
来源：	三七
结构类型：	三萜类
其它名称或标识：	ginsenoside Rh(4) ginsenoside Rh4

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	5mg	鉴别	560	点击购买	2-8℃	现货	-
科华智慧	20mg	鉴别	1728	点击购买	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 104108 0 1 0 0 0 0 0999 V2000 -3.2966 -0.3430 -0.5883 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7317 3.3100 -0.1255 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1729 4.6406 0.3583 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6342 -2.5797 -0.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7575 -1.0701 0.6048 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 -3.8500 -0.0224 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3131 -5.6430 0.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 -4.2151 -0.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3166 0.6612 -0.1558 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0755 2.2284 -0.1649 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5589 0.3474 -1.1187 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2608 2.7368 0.5427 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8091 1.1113 -0.6038 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4777 1.9428 -0.1041 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9684 -0.0393 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 3.0107 0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2636 0.4080 0.0441 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5933 2.6229 -0.6361 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1252 -1.0897 -1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 2.5084 0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9878 0.5204 -1.4041 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4380 4.2524 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5682 -0.9514 -1.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5977 0.1253 1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 0.6831 -2.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1826 2.5999 2.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9384 4.0422 -0.0406 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7995 4.8216 0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 2.1968 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0132 1.8947 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3166 0.6121 -0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4883 -1.6046 0.0510 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3672 1.3350 -1.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4939 0.0673 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9547 -2.0011 -0.1206 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7368 0.0631 1.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2142 -3.4128 0.4056 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7596 -3.8639 0.0710 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1785 -4.4018 -0.1294 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1019 -1.3300 1.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 -4.7789 -0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9959 -2.1665 1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2365 -3.5303 1.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8160 -1.8715 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1004 2.4963 -1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 0.8561 0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4018 2.1296 -1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8225 -1.1181 -0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1181 0.1334 -1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6109 2.8794 1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 4.0885 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 0.1691 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 2.9749 -1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1856 -1.5123 -0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5386 -1.7856 -1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0492 1.0226 -2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 4.4206 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 4.8460 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2192 -1.6937 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5942 -1.1692 -2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8283 -0.9434 1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 0.6435 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 0.2020 1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5033 -0.0143 -3.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 0.5969 -3.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8606 1.6947 -2.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 1.6670 2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1564 2.6681 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7192 3.3952 2.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8712 4.1887 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9283 4.8715 1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 5.8678 0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 1.1385 1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8091 2.7866 2.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4149 2.4159 1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2529 0.8708 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 1.9277 -1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9578 2.4456 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4139 3.2980 -0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 -1.5325 1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1987 4.6653 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2991 1.4893 -0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6074 0.7643 -2.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0149 2.3238 -1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6492 -0.4334 0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 -1.9264 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5858 0.5487 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5410 0.6563 2.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2335 -3.4181 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5222 -3.7647 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3719 -4.5928 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5044 -1.1189 1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5606 -1.6791 2.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 -5.7774 -0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8624 -4.8731 -1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6334 -4.7528 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -5.4849 1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -3.3494 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6273 -3.7128 2.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9958 -4.3088 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2872 -3.6372 2.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8813 -1.8641 0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5749 -0.9085 -0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6465 -2.6399 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 32 1 0 0 0 0 2 18 1 0 0 0 0 2 79 1 0 0 0 0 3 27 1 0 0 0 0 3 81 1 0 0 0 0 4 32 1 0 0 0 0 4 38 1 0 0 0 0 5 35 1 0 0 0 0 5 92 1 0 0 0 0 6 37 1 0 0 0 0 6 96 1 0 0 0 0 7 39 1 0 0 0 0 7 97 1 0 0 0 0 8 41 1 0 0 0 0 8 98 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 45 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 12 26 1 0 0 0 0 13 18 1 0 0 0 0 13 21 1 0 0 0 0 13 46 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 14 47 1 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 27 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 21 56 1 0 0 0 0 22 28 1 0 0 0 0 22 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 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 28 1 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 33 1 0 0 0 0 31 34 2 0 0 0 0 32 35 1 0 0 0 0 32 80 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 36 1 0 0 0 0 34 85 1 0 0 0 0 35 37 1 0 0 0 0 35 86 1 0 0 0 0 36 40 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 39 1 0 0 0 0 38 41 1 0 0 0 0 38 90 1 0 0 0 0 39 91 1 0 0 0 0 40 42 2 0 0 0 0 40 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0

回顶

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-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-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/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10-11,21-32,37-42H,9,12-18H2,1-8H3/b20-11+/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,34-,35-,36-/m1/s1

4.3 InChlKey

OZTXYFOXQFKYRP-TXRYYSRHSA-N

4.4 Canonical SMILES

CC(=CCC=C(C)C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)C

4.5 lsomeric SMILES

CC(=CC/C=C(\C)/[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 48 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.99831 6.72919 0 0
M  V30 2 C 4.99774 5.76813 0 0
M  V30 3 C 4.16516 5.2881 0 0
M  V30 4 C 3.33314 5.76911 0 0
M  V30 5 C 2.50056 5.28908 0 0
M  V30 6 C 1.66855 5.7701 0 0
M  V30 7 C 1.66911 6.73115 0 0
M  V30 8 C 0.835966 5.29006 0 0
M  V30 9 C 0.00366726 5.77059 0 0
M  V30 10 C -0.829259 5.29035 0 0
M  V30 11 C 0.00249035 3.84776 0 0
M  V30 12 C 0.835416 4.32799 0 0
M  V30 13 C 1.6683 3.84645 0 0
M  V30 14 C 1.66775 2.88439 0 0
M  V30 15 C 0.834822 2.40415 0 0
M  V30 16 C 0.00194057 2.88569 0 0
M  V30 17 C -0.83149 2.40516 0 0
M  V30 18 C -0.83204 1.4431 0 0
M  V30 19 C 0.00084101 0.96156 0 0
M  V30 20 C 0.834272 1.44209 0 0
M  V30 21 C 1.66686 0.961054 0 0
M  V30 22 C 1.66602 -0.000505777 0 0
M  V30 23 C 0.83259 -0.481033 0 0
M  V30 24 C 0 0 0 0
M  V30 25 C -0.854808 -0.492853 0 0
M  V30 26 C -0.000863008 -0.986712 0 0
M  V30 27 O 0.831727 -1.46774 0 0
M  V30 28 C 1.68908 1.93494 0 0
M  V30 29 O -1.6655 0.962556 0 0
M  V30 30 C -2.60642 1.16314 0 0
M  V30 31 C -3.25059 0.448561 0 0
M  V30 32 C -4.19151 0.64914 0 0
M  V30 33 C -4.48827 1.56429 0 0
M  V30 34 C -3.8441 2.27887 0 0
M  V30 35 O -2.90318 2.07829 0 0
M  V30 36 C -4.14086 3.19402 0 0
M  V30 37 O -5.08178 3.3946 0 0
M  V30 38 O -5.42919 1.76487 0 0
M  V30 39 O -4.83568 -0.0654349 0 0
M  V30 40 O -2.95383 -0.466593 0 0
M  V30 41 C -1.69417 3.86631 0 0
M  V30 42 O 2.51694 4.33575 0 0
M  V30 43 C -0.846149 3.35846 0 0
M  V30 44 C 5.82976 5.28712 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 44
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 1 8 12
M  V30 10 1 8 9
M  V30 11 1 9 10
M  V30 12 1 10 11
M  V30 13 1 11 16
M  V30 14 1 11 12
M  V30 15 1 11 43
M  V30 16 1 12 13
M  V30 17 1 13 14
M  V30 18 1 13 42
M  V30 19 1 14 15
M  V30 20 1 15 20
M  V30 21 1 15 16
M  V30 22 1 16 17
M  V30 23 1 16 41
M  V30 24 1 17 18
M  V30 25 1 18 19
M  V30 26 1 18 29
M  V30 27 1 19 24
M  V30 28 1 19 20
M  V30 29 1 20 21
M  V30 30 1 20 28
M  V30 31 1 21 22
M  V30 32 1 22 23
M  V30 33 1 23 24
M  V30 34 1 23 27
M  V30 35 1 24 25
M  V30 36 1 24 26
M  V30 37 1 29 30
M  V30 38 1 30 35
M  V30 39 1 30 31
M  V30 40 1 31 32
M  V30 41 1 31 40
M  V30 42 1 32 33
M  V30 43 1 32 39
M  V30 44 1 33 34
M  V30 45 1 33 38
M  V30 46 1 34 35
M  V30 47 1 34 36
M  V30 48 1 36 37
M  V30 END BOND
M  V30 END CTAB
M  END

回顶

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

回顶

6. 相关药材

中文名称	英文名称	拉丁文名称
红参	Red Ginseng	Radix Ginseng Rubra
没药	Myrrh	Resi myrrhae;Myrrha
人参	Ginseng	Radix Ginseng
人参叶	Ginseng Leaf	Folium Ginseng

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型