Phytolaccagenin

CAS: 1802-12-6

Ref. TR-P399478

Product Information

• Name: Phytolaccagenin
• Synonyms: 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)-, (2beta,3beta,4alpha,20beta)-29-Methyl 2,3,23-trihydroxyolean-12-ene-28,29-dioate, 2,3,23-Trihydroxy-29-Methoxy-29-Oxoolean-12-En-28-Oic Acid, Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-, 29-methyl ester, (2beta,3beta,4alpha,20beta)-, Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-, 29-methyl ester, (2β,3β,4α,20β)-, Olean-12-ene-28,30-dioic acid, 2β,3β,23-trihydroxy-, 30-methyl ester, Phytolaccagenine

Description

Applications Phytolaccagenin (CAS# 1802-12-6) is a saponin found in Phytolacca acinosa and Phytolacca americana species which have antiproliferative activities in humans.
References Saleri, F. D.; et al.: Molecules, 22, 1077 (2017).

• Brand: TRC

Chemical properties

• Molecular weight: 532.71
• Formula: C₃₁H₄₈O₇
• Color/Form: Neat
• 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
• InChI key: InChIKey=CYJWWQALTIKOAG-FLORRLIPSA-N
• SMILES: COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)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@]43C)[C@@H]2C1