(8aS)-4,6-Dihydroxy-2-[(2R,3R)-2-(2-Hydroxyethyl)-2-Methyl-3-[(2R)-6-Methyl-5-Methylideneheptan-2-Yl]Cyclopentyl]-8a-Methyl-4,4a,5,6,7,8-Hexahydronaphthalen-1-One
[CAS# 143625-40-5]

Identification

• Name: (8aS)-4,6-Dihydroxy-2-[(2R,3R)-2-(2-Hydroxyethyl)-2-Methyl-3-[(2R)-6-Methyl-5-Methylideneheptan-2-Yl]Cyclopentyl]-8a-Methyl-4,4a,5,6,7,8-Hexahydronaphthalen-1-One
• Synonyms: (8As)-2-[(2R,3R)-3-[(1R)-1,5-Dimethyl-4-Methylene-Hexyl]-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-Dimethyl-4-Methylenehexyl]-2-(2-Hydroxyethyl)-2-Methylcyclopentyl]-4,6-Dihydroxy-8A-Methyl-4,4A,5,6,7,8-Hexahydronaphthalen-1-One; (8As)-4,6-Dihydroxy-2-[(2R,3R)-2-(2-Hydroxyethyl)-3-[(1R)-4-Isopropyl-1-Methyl-Pent-4-Enyl]-2-Methyl-Cyclopentyl]-8A-Methyl-4,4A,5,6,7,8-Hexahydronaphthalen-1-One
• Molecular Formula: C₂₈H₄₆O₄
• Molecular Weight: 446.67
• CAS Registry Number: 143625-40-5
• SMILES: [C@@]1([C@H](CCC1C2=CC(O)C3[C@@](C2=O)(CCC(O)C3)C)[C@@H](CCC(C(C)C)=C)C)(CCO)C
• InChI: 1S/C28H46O4/c1-17(2)18(3)7-8-19(4)22-9-10-23(27(22,5)13-14-29)21-16-25(31)24-15-20(30)11-12-28(24,6)26(21)32/h16-17,19-20,22-25,29-31H,3,7-15H2,1-2,4-6H3/t19-,20?,22-,23?,24?,25?,27-,28+/m1/s1
• InChIKey: XHFAXVFEJWTPSR-LQZOCPDKSA-N

Properties

• Density: 1.071g/cm³ (Cal.)
• Boiling point: 581.53°C at 760 mmHg (Cal.)
• Flash point: 319.539°C (Cal.)