Primulagenin
[CAS# 465-95-2]

Identification

• Name: Primulagenin
• Synonyms: (3S,6Ar,6Bs,8R,8As,12Ar,14Ar,14Br)-4,4,6A,6B,11,11,14B-Heptamethyl-8A-Methylol-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicene-3,8-Diol; Olean-12-Ene-3,16,28-Triol, (3Beta,16Alpha)-; Genin A
• Molecular Formula: C₃₀H₅₀O₃
• Molecular Weight: 458.72
• CAS Registry Number: 465-95-2
• SMILES: [C@@]13([C@]4(C(=CC[C@@H]1[C@@]2(C(C([C@@H](O)CC2)(C)C)CC3)C)[C@@H]5[C@@]([C@H](O)C4)(CCC(C5)(C)C)CO)C)C
• InChI: 1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21?,22-,23+,24-,27+,28-,29-,30-/m1/s1
• InChIKey: YHGVYECWZWIVJC-CHXBPBAWSA-N

Properties

• Density: 1.103g/cm³ (Cal.)
• Boiling point: 551.001°C at 760 mmHg (Cal.)
• Flash point: 224.346°C (Cal.)