(8aS)-4,6-Dihydroxy-2-[(2R,3R)-2-(2-Hydroxyethyl)-2-Methyl-3-[(2R)-6-Methylheptan-2-Yl]Cyclopentyl]-8a-Methyl-4,4a,5,6,7,8-Hexahydronaphthalen-1-One
[CAS# 143625-39-2]

Identification

• Name: (8aS)-4,6-Dihydroxy-2-[(2R,3R)-2-(2-Hydroxyethyl)-2-Methyl-3-[(2R)-6-Methylheptan-2-Yl]Cyclopentyl]-8a-Methyl-4,4a,5,6,7,8-Hexahydronaphthalen-1-One
• Synonyms: (8As)-2-[(2R,3R)-3-[(1R)-1,5-Dimethylhexyl]-2-(2-Hydroxyethyl)-2-Methyl-Cyclopentyl]-4,6-Dihydroxy-8A-Methyl-4,4A,5,6,7,8-Hexahydronaphthalen-1-One; (8As)-2-[(2R,3R)-3-[(1R)-1,5-Dimethylhexyl]-2-(2-Hydroxyethyl)-2-Methylcyclopentyl]-4,6-Dihydroxy-8A-Methyl-4,4A,5,6,7,8-Hexahydronaphthalen-1-One; 9,11-Seco-3,6,11-Trihydroxycholest-7-En-9-One
• Molecular Formula: C₂₇H₄₆O₄
• Molecular Weight: 434.66
• CAS Registry Number: 143625-39-2
• SMILES: [C@@]1([C@H](CCC1C2=CC(O)C3[C@@](C2=O)(CCC(O)C3)C)[C@@H](CCCC(C)C)C)(CCO)C
• InChI: 1S/C27H46O4/c1-17(2)7-6-8-18(3)21-9-10-22(26(21,4)13-14-28)20-16-24(30)23-15-19(29)11-12-27(23,5)25(20)31/h16-19,21-24,28-30H,6-15H2,1-5H3/t18-,19?,21-,22?,23?,24?,26-,27+/m1/s1
• InChIKey: JBBOTAYOANLXIB-HDRUIAHASA-N

Properties

• Density: 1.071g/cm³ (Cal.)
• Boiling point: 573.242°C at 760 mmHg (Cal.)
• Flash point: 314.532°C (Cal.)