(3S,6aR,6bS,8aR,9R,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-Dodecahydropicene-3,9-Diol
[CAS# 149183-66-4]

Identification

• Name: (3S,6aR,6bS,8aR,9R,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-Dodecahydropicene-3,9-Diol
• Synonyms: Olean-11,13(18)-Diene-3,22-Diol; Oleana-11,13(18)-Diene-3,22-Diol, (3Beta,22Beta)-
• Molecular Formula: C₃₀H₄₈O₂
• Molecular Weight: 440.71
• CAS Registry Number: 149183-66-4
• SMILES: [C@@]23([C@@H]([C@@]1(C(C([C@@H](O)CC1)(C)C)CC2)C)C=CC4=C5[C@@](CC[C@@]34C)([C@H](O)CC(C5)(C)C)C)C
• InChI: 1S/C30H48O2/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/h9-10,21-24,31-32H,11-18H2,1-8H3/t21?,22-,23+,24-,27-,28+,29-,30-/m1/s1
• InChIKey: ZQENWRDSPSBPLG-FDFUJUHWSA-N

Properties

• Density: 1.072g/cm³ (Cal.)
• Boiling point: 532.882°C at 760 mmHg (Cal.)
• Flash point: 217.416°C (Cal.)