Sophoradiol
[CAS# 6822-47-5]

Identification

• Name: Sophoradiol
• Synonyms: Aids-098133; Aids098133; Olean-12-Ene-3.Beta.,22.Beta.-Diol
• Molecular Formula: C₃₀H₅₀O₂
• Molecular Weight: 442.72
• CAS Registry Number: 6822-47-5
• SMILES: [C@]25(C(=CCC3[C@]1(CC[C@@H](C(C1CC[C@@]23C)(C)C)O)C)C4CC(C)(C)C[C@H]([C@@]4(CC5)C)O)C
• InChI: 1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20?,21?,22?,23-,24+,27+,28-,29+,30+/m0/s1
• InChIKey: ZEGUWBQDYDXBNS-CVPOBCMLSA-N

Properties

• Density: 1.057g/cm³ (Cal.)
• Boiling point: 520.684°C at 760 mmHg (Cal.)
• Flash point: 210.042°C (Cal.)