Soyasapogenol E
[CAS# 6750-59-0]

Identification

• Name: Soyasapogenol E
• Synonyms: (4Ar,6Ar,6As,6Br,9S,10S,12Ar,14Br)-10-Hydroxy-2,2,4A,6A,6B,9,12A-Heptamethyl-9-Methylol-3,5,6,6A,7,8,8A,10,11,12,13,14B-Dodecahydro-1H-Picen-4-One; Olean-12-En-22-One, 3,23-Dihydroxy-, (3Beta,4Beta)-
• Molecular Formula: C₃₀H₄₈O₃
• Molecular Weight: 456.71
• CAS Registry Number: 6750-59-0
• SMILES: [C@@]23([C@@H]([C@@]1(C([C@]([C@@H](O)CC1)(CO)C)CC2)C)CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5=O)(C)C)C)C)C
• InChI: 1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21?,22-,23+,26-,27+,28-,29-,30-/m1/s1
• InChIKey: FNRBOAGVUNHDIL-DSXFTMRLSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 554.595°C at 760 mmHg (Cal.)
• Flash point: 303.267°C (Cal.)