(3b,5E,7E,10a)-9,10-Secocholesta-5,7-diene-3,25-diol
[CAS# 25631-39-4]

Identification

• Name: (3b,5E,7E,10a)-9,10-Secocholesta-5,7-diene-3,25-diol
• Synonyms: (1R,3Z,4R)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methyl-Cyclohexan-1-Ol; (1R,3Z,4R)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methyl-1-Cyclohexanol; (1R,3Z,4R)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(2R)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methyl-Cyclohexan-1-Ol
• Molecular Formula: C₂₇H₄₆O₂
• Molecular Weight: 402.66
• CAS Registry Number: 25631-39-4
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C2/[C@@H](CC[C@@H](O)C2)C)CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C27H46O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,19-20,23-25,28-29H,6-10,13-18H2,1-5H3/b21-11+,22-12-/t19-,20-,23-,24-,25+,27-/m1/s1
• InChIKey: OAEHUEZTKKWVAX-YJIQUNDLSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 523.933°C at 760 mmHg (Cal.)
• Flash point: 217.643°C (Cal.)