(2S,4aR,4bR,6aS,12aS,12bR,14aR)-1,1,4A,6A,8,12B-Hexamethyl-2,3,4,4A,4B,5,6,6A,12,12A,12B,13,14,14A-Tetradecahydro-1H-Naphtho[2,1-a]Xanthene-2,10-Diol
[CAS# 34274-99-2]

Identification

• Name: (2S,4aR,4bR,6aS,12aS,12bR,14aR)-1,1,4A,6A,8,12B-Hexamethyl-2,3,4,4A,4B,5,6,6A,12,12A,12B,13,14,14A-Tetradecahydro-1H-Naphtho[2,1-a]Xanthene-2,10-Diol
• Synonyms: taondiol
• Molecular Formula: C₂₇H₄₀O₃
• Molecular Weight: 412.60
• CAS Registry Number: 34274-99-2
• SMILES: CC1=CC(=CC2=C1O[C@]3(CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@H]3C2)C)(C)C)O)C)C)O
• InChI: 1S/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20+,21-,22-,25-,26+,27-/m0/s1
• InChIKey: LRMHPGVONLYGQD-JQGWRLNDSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 532.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 275.7±30.1°C (Cal.)