PFAS

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GCIS

全球化学品名录

商陆皂苷元(Phytolaccagenin)

Jaligonic acid 30-methyl ester, 2-carbomethoxy-10,11-dihydroxy-2,6a,6b,9,12a-pentamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (2β,3β)-2,3,23-Trihydroxy-30-methoxy-30-oxoolean-12-en-28-oic acid, Olean-12-ene-28,30-dioic acid, 2,3,23-trihydroxy-, 30-methyl ester, (2β,3β)-, Phytolaccagenin

CAS号: 1802-12-6

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

分子式: C31H48O7

分子量: 532.709

InChI: InChI=1S/C31H48O7/c1-26(25(37)38-6)11-13-31(24(35)36)14-12-29(4)18(19(31)15-26)7-8-22-27(2)16-20(33)23(34)28(3,17-32)21(27)9-10-30(22,29)5/h7,19-23,32-34H,8-17H2,1-6H3,(H,35,36)/t19-,20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1

InChIKey: CYJWWQALTIKOAG-FLORRLIPSA-N

SMILES: C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC

EINECS: -