Withaperuvin C
[CAS# 81644-34-0]

Identification

• Name: Withaperuvin C
• Synonyms: (17S,22R)-6beta,14,17,20,22-Pentahydroxy-1-oxo-5beta-ergosta-2,4,24-triene-26-oic acid delta-lactone
• Molecular Formula: C₂₈H₃₈O₇
• Molecular Weight: 486.61
• CAS Registry Number: 81644-34-0
• SMILES: CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5=CC=CC(=O)C45C)O)C)O)O)O)C
• InChI: 1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-11-27(33)19-14-20(29)18-7-6-8-21(30)25(18,4)17(19)9-10-24(27,28)3/h6-8,17,19-20,22,29,32-34H,9-14H2,1-5H3/t17-,19+,20+,22+,24-,25+,26-,27+,28-/m0/s1
• InChIKey: IBJZGHYOMSKIJB-TWLFGGHSSA-N