6859-20-7 (黄夹次甙丙,(3beta,5beta,8xi,9xi)-3-[(6-deoxy-3-O-methyl-alpha-D-glycero-hexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide)

快速询单

结构式：

黄夹次甙丙MOL文件

CAS号：

6859-20-7

中文名称：

黄夹次甙丙

英文名称：

(3beta,5beta,8xi,9xi)-3-[(6-deoxy-3-O-methyl-alpha-D-glycero-hexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide

分子式：

C₃₀H₄₈O₉

分子量：

552.696730613709

简介：

黄夹次甙丙的分子式是C30H46O9，沸点是739.5°C at 760 mmHg。

黄夹次甙丙(6859-20-7)名称与标识符

名称

中文别名：

黄夹次甙丙;

英文别名：

(3beta,5beta,8xi,9xi)-3-[(6-deoxy-3-O-methyl-alpha-D-glycero-hexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide;3-[(3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-y;Ruvoside;3-[(3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;AKOS040753871;CHEMBL3794042;6859-20-7;

标识符

InChIKey：

OUNJIPXPCNNRQO-LHMUKCCFSA-N

Inchi：

1S/C30H46O9.H2/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17;/h12,16,18-22,24-27,31,33-35H,4-11,13-15H2,1-3H3;1H/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30-;/m0./s1

SMILES：

O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(CO)CC[C@@H](C[C@H]3CC[C@@H]21)O[C@H]1[C@H]([C@@H]([C@H]([C@H](C)O1)O)OC)O.[H][H]