Soyasapogenol D
[CAS# 65892-76-4]

Identification

• Name: Soyasapogenol D
• Synonyms: (3S,4S,6Ar,6Bs,8Ar,9R,14Ar,14Br)-9-Methoxy-4,6A,6B,8A,11,11,14B-Heptamethyl-4-Methylol-1,2,3,4A,5,6,7,8,9,10,12,13,14,14A-Tetradecahydropicen-3-Ol
• Molecular Formula: C₃₁H₅₂O₃
• Molecular Weight: 472.75
• CAS Registry Number: 65892-76-4
• SMILES: [C@@]23([C@@H]([C@@]1(C([C@]([C@@H](O)CC1)(CO)C)CC2)C)CCC4=C5[C@@](CC[C@@]34C)([C@H](OC)CC(C5)(C)C)C)C
• InChI: 1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3/t22?,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1
• InChIKey: JAQZKPHHLRTVCY-LBVOPIFJSA-N

Properties

• Density: 1.074g/cm³ (Cal.)
• Boiling point: 545.065°C at 760 mmHg (Cal.)
• Flash point: 283.445°C (Cal.)