(3S,4aR,6aR,6bS,8R,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-Tetradecahydro-1H-Picene-3,8-Diol
[CAS# 31575-82-3]

Identification

• Name: (3S,4aR,6aR,6bS,8R,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-Tetradecahydro-1H-Picene-3,8-Diol
• Molecular Formula: C₃₀H₅₀O₂
• Molecular Weight: 442.72
• CAS Registry Number: 31575-82-3
• SMILES: [C@]25(C(=CC[C@@H]3[C@]1(CC[C@@H](C([C@@H]1CC[C@@]23C)(C)C)O)C)[C@@H]4[C@H]([C@H](C)CC[C@@]4([C@@H](C5)O)C)C)C
• InChI: 1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h9,18-19,21-25,31-32H,10-17H2,1-8H3/t18-,19+,21+,22-,23+,24-,25+,27+,28-,29-,30-/m1/s1
• InChIKey: VJFLMYRRJUWADI-DBHRHCOISA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 523.875°C at 760 mmHg (Cal.)
• Flash point: 211.708°C (Cal.)