(3R,5aR,6R,7S)-6-{2-[3-Hydroxy-2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-1-cyclohexen-1-yl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol
[CAS# 87978-31-2]

Identification

• Name: (3R,5aR,6R,7S)-6-{2-[3-Hydroxy-2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-1-cyclohexen-1-yl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol
• Synonyms: siphonellinol
• Molecular Formula: C₃₀H₅₂O₄
• Molecular Weight: 476.73
• CAS Registry Number: 87978-31-2
• SMILES: C/C(C)=C\CCC3(C)CCC(O)C(\C)=C3\CC[C@H]1[C@@](C)(O)CCC2OC(C)(C)[C@H](O)CC[C@]12C
• InChI: 1S/C30H52O4/c1-20(2)10-9-16-28(6)17-13-23(31)21(3)22(28)11-12-24-29(7)18-14-25(32)27(4,5)34-26(29)15-19-30(24,8)33/h10,23-26,31-33H,9,11-19H2,1-8H3/t23?,24-,25-,26?,28?,29-,30+/m1/s1
• InChIKey: MDMVCICLFMAHFF-IRHQNTPRSA-N

Properties

• Density: 1.005g/cm³ (Cal.)
• Boiling point: 580.014°C at 760 mmHg (Cal.)
• Flash point: 304.582°C (Cal.)