CAS号:39262-14-1-人参皂苷CK - ginsenoside C-K-科华智慧

1. 主信息

英文名:	ginsenoside C-K
中文名:	人参皂苷CK
CAS编号:	39262-14-1
化学分子式：	C₃₆H₆₂O₈
化学分子量：	622.9 g/mol
SMILES：	CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C
来源：	人参
结构类型：	三萜类
其它名称或标识：	20-O-beta-D-glucopyranosyl-20(S)-protopanaxadiol compound K compound M1-O ginsenoside CK ginsenoside compound K

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%	500	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 106110 0 1 0 0 0 0 0999 V2000 -0.2027 0.5068 -2.6125 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9676 0.5713 -0.5562 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7081 1.9493 -0.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6874 1.1028 0.9284 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 2.8957 -2.0531 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 4.9934 -0.3828 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0163 3.9228 1.1214 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 -0.0049 2.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 -0.7004 0.8289 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2601 -1.5902 0.3871 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2731 -0.2467 -0.4918 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7038 0.4281 -0.3106 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3370 -0.7468 -0.5358 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5642 -0.4884 0.6308 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5011 -1.5089 1.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9495 -1.5821 -0.6627 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3197 0.4980 -1.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0526 -0.3086 -1.8118 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2371 -1.9758 1.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8427 -0.8089 1.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0770 -0.0570 0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0707 -2.2712 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4015 0.4862 -1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.5182 1.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -2.9325 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5916 1.8789 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1962 -0.7702 -0.9953 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6627 0.5252 -0.5209 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8761 0.0675 -1.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8954 -1.3419 1.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3036 0.9036 1.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 -1.3235 -0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4027 -0.7367 -2.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7696 -2.7915 -0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1967 1.2795 -0.3985 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9272 2.7581 -0.6777 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9722 -3.2741 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1601 3.6132 -0.3845 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9327 1.7685 1.1454 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7516 3.2798 0.9851 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2538 -3.2930 -0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 1.4026 2.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6198 -2.8066 -1.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4148 -3.7900 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5246 -1.1777 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 0.1671 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6051 -1.4576 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7371 -2.4721 1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 -1.7401 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8163 -2.3761 -1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 1.4662 -1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8313 0.7426 -2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 -1.1805 -2.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5577 -2.8318 2.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0343 -1.1538 2.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4543 -1.4860 2.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 0.0900 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8709 -1.9613 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1464 -3.3575 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3089 1.4956 -2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -0.1688 -2.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4445 1.2335 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 1.0866 2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 0.2068 2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1936 -3.5934 0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8565 -3.5136 -0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -2.7960 -1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 2.4693 -0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7647 2.4214 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4645 1.9385 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7045 0.2016 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3289 0.4726 -2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9390 -1.0246 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5645 -1.8186 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8119 -2.0815 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9600 -1.1095 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7211 1.8230 1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0439 0.4394 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3592 1.1935 2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6984 0.7522 -3.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 -1.1766 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3685 -0.8041 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0616 -1.6500 -3.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 0.1283 -2.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4685 -0.6442 -2.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1220 2.2220 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 -3.4709 -0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -2.9223 -1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 0.9815 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 3.1078 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7599 -3.6289 1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9129 3.4994 -1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6657 1.3802 0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0985 3.6723 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3244 2.6001 -2.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3793 1.8607 2.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6801 1.7095 3.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1095 5.1237 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4907 -2.1437 -1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8393 -2.2322 -2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8849 -3.6557 -2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0925 -4.1529 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1398 -2.9860 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9156 -4.6162 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 3.5709 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 -0.2158 3.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 80 1 0 0 0 0 2 27 1 0 0 0 0 2 35 1 0 0 0 0 3 28 1 0 0 0 0 3 86 1 0 0 0 0 4 35 1 0 0 0 0 4 39 1 0 0 0 0 5 36 1 0 0 0 0 5 95 1 0 0 0 0 6 38 1 0 0 0 0 6 98 1 0 0 0 0 7 40 1 0 0 0 0 7105 1 0 0 0 0 8 42 1 0 0 0 0 8106 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 13 1 0 0 0 0 10 19 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 12 26 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 46 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 47 1 0 0 0 0 15 20 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 22 1 0 0 0 0 16 27 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 28 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 29 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 32 1 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 34 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 37 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 36 1 0 0 0 0 35 89 1 0 0 0 0 36 38 1 0 0 0 0 36 90 1 0 0 0 0 37 41 2 0 0 0 0 37 91 1 0 0 0 0 38 40 1 0 0 0 0 38 92 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 39 93 1 0 0 0 0 40 94 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 42 96 1 0 0 0 0 42 97 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

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4. 国际命名与标识

4.1 IUPAC Name

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

4.2 InChl

InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,44-31-30(42)29(41)28(40)23(19-37)43-31)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(39)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1

4.3 InChlKey

FVIZARNDLVOMSU-IRFFNABBSA-N

4.4 Canonical SMILES

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C

4.5 lsomeric SMILES

CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)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 0.670173 -4.95622 0 0
M  V30 2 C 1.67017 -4.95622 0 0
M  V30 3 C 2.17017 -4.0902 0 0
M  V30 4 C 1.67017 -3.22417 0 0
M  V30 5 C 2.17017 -2.35815 0 0
M  V30 6 C 1.67017 -1.49212 0 0
M  V30 7 C 0.804147 -1.99212 0 0
M  V30 8 C 1.17017 -0.626098 0 0
M  V30 9 C 1.57691 0.287448 0 0
M  V30 10 C 0.833765 0.956578 0 0
M  V30 11 C -0.0322608 0.456578 0 0
M  V30 12 C 0.175651 -0.521569 0 0
M  V30 13 C -0.567494 -1.1907 0 0
M  V30 14 C -1.51855 -0.881683 0 0
M  V30 15 C -1.72646 0.0964647 0 0
M  V30 16 C -0.983317 0.765595 0 0
M  V30 17 C -1.19123 1.74374 0 0
M  V30 18 C -2.14229 2.05276 0 0
M  V30 19 C -2.88543 1.38363 0 0
M  V30 20 C -2.67752 0.405482 0 0
M  V30 21 C -3.42066 -0.263649 0 0
M  V30 22 C -4.37172 0.0453681 0 0
M  V30 23 C -4.57963 1.02352 0 0
M  V30 24 C -3.83649 1.69265 0 0
M  V30 25 C -4.50562 2.43579 0 0
M  V30 26 C -3.52747 2.6437 0 0
M  V30 27 O -5.53069 1.33253 0 0
M  V30 28 C -2.46961 -0.572666 0 0
M  V30 29 C -0.240172 1.43473 0 0
M  V30 30 O -0.359582 -2.16885 0 0
M  V30 31 C -0.620046 1.2656 0 0
M  V30 32 O 2.5362 -0.992123 0 0
M  V30 33 C 2.5362 0.00787689 0 0
M  V30 34 C 3.40222 0.507877 0 0
M  V30 35 C 3.40222 1.50788 0 0
M  V30 36 C 2.5362 2.00788 0 0
M  V30 37 C 1.67017 1.50788 0 0
M  V30 38 O 1.67017 0.507877 0 0
M  V30 39 C 0.804147 2.00788 0 0
M  V30 40 O 0.804147 3.00788 0 0
M  V30 41 O 2.5362 3.00788 0 0
M  V30 42 O 4.26825 2.00788 0 0
M  V30 43 O 4.26825 0.00787689 0 0
M  V30 44 C 2.17017 -5.82225 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 1 5 6
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 1 6 32
M  V30 10 1 8 12
M  V30 11 1 8 9
M  V30 12 1 9 10
M  V30 13 1 10 11
M  V30 14 1 11 16
M  V30 15 1 11 12
M  V30 16 1 11 31
M  V30 17 1 12 13
M  V30 18 1 13 14
M  V30 19 1 13 30
M  V30 20 1 14 15
M  V30 21 1 15 20
M  V30 22 1 15 16
M  V30 23 1 16 17
M  V30 24 1 16 29
M  V30 25 1 17 18
M  V30 26 1 18 19
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 32 33
M  V30 38 1 33 38
M  V30 39 1 33 34
M  V30 40 1 34 35
M  V30 41 1 34 43
M  V30 42 1 35 36
M  V30 43 1 35 42
M  V30 44 1 36 37
M  V30 45 1 36 41
M  V30 46 1 37 38
M  V30 47 1 37 39
M  V30 48 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