PFAS

全球PFAS筛查数据库

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GCIS

全球化学品名录

桔梗皂苷元

Platycodigenin

Olean-12-en-28-oic acid, 2,3,16,23,24-pentahydroxy-, (2β,3β,16α)-, Platycodigenin, (2β,3β,16α)-2,3,16,23,24-Pentahydroxyolean-12-en-28-oic acid, Platicodigenin, 2beta,3beta,16beta,23,24-pentahydroxy-olean-12-en-28-oic acid

CAS号: 22327-82-8

IUPAC名称: (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

分子式: C30H48O7

分子量: 520.698

InChI: InChI=1S/C30H48O7/c1-25(2)10-11-30(24(36)37)18(12-25)17-6-7-20-26(3)13-19(33)23(35)29(15-31,16-32)21(26)8-9-27(20,4)28(17,5)14-22(30)34/h6,18-23,31-35H,7-16H2,1-5H3,(H,36,37)/t18-,19-,20+,21+,22+,23-,26+,27+,28+,30+/m0/s1

InChIKey: APTNOIWSCDBIAS-PCHRGASXSA-N

SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)(C[C@@H]([C@@H](C3(CO)CO)O)O)C

EINECS: -