CAS RN 1802-12-6
CAS RN 1802-12-6
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Phytolaccagenin, TRC
CAS: 1802-12-6 Molecular Formula: C31H48O7 Molecular Weight (g/mol): 532.71 Synonym: Olean-12-ene-28,30-dioic acid, 2beta,3beta,23-trihydroxy-, 30-methyl ester (8CI),Phytolaccagenin (7CI),Jaligonic acid 30-methyl ester,NSC 116453,Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-, 29-methyl ester, (2beta,3beta,4alpha,20beta)- IUPAC Name: (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 SMILES: COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O