(4aS,6aR,6aR,8aR,9R,14bR)-14a-(Hydroxymethyl)-2,2,4a,6a,6a,8a,9-Heptamethyl-1,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-Tetradecahydropicene-3,10-Dione
[CAS# 72183-90-5]

Identification

• Name: (4aS,6aR,6aR,8aR,9R,14bR)-14a-(Hydroxymethyl)-2,2,4a,6a,6a,8a,9-Heptamethyl-1,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-Tetradecahydropicene-3,10-Dione
• Synonyms: (4R,4As,6Br,8As,12Ar,14As)-4,4A,6B,8A,11,11,14A-Heptamethyl-6A-Methylol-1,2,4,5,6,6A,7,8,9,12,12A,13,14,14B-Tetradecahydropicene-3,10-Quinone; D:A-Friedooleanane-3,21-Dione, 27-Hydroxy; From Inner Stem Bark Of Kokoona Zeylanica Thwaites Plant
• Molecular Formula: C₃₀H₄₈O₃
• Molecular Weight: 456.71
• CAS Registry Number: 72183-90-5
• SMILES: [C@@H]1(C(=O)CCC2[C@@]1(CCC3[C@@]5(C(CC[C@@]23C)(CO)[C@@H]4CC(C)(C)C(=O)C[C@@]4(CC5)C)C)C)C
• InChI: 1S/C30H48O3/c1-19-20(32)8-9-21-27(19,5)11-10-22-28(21,6)13-15-30(18-31)23-16-25(2,3)24(33)17-26(23,4)12-14-29(22,30)7/h19,21-23,31H,8-18H2,1-7H3/t19-,21?,22?,23+,26-,27+,28-,29+,30?/m0/s1
• InChIKey: ZHJWYVRDMOUNPD-VMLBPCRSSA-N

Properties

• Density: 1.043g/cm³ (Cal.)
• Boiling point: 542.523°C at 760 mmHg (Cal.)
• Flash point: 295.974°C (Cal.)