(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-Dimethyl-8-[(2S)-2-Methylbutanoyl]Oxy-1,2,6,7,8,8a-Hexahydronaphthalen-1-Yl]-3,5-Dihydroxyheptanoic Acid
[CAS# 77285-87-1]

Identification

• Name: (3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-Dimethyl-8-[(2S)-2-Methylbutanoyl]Oxy-1,2,6,7,8,8a-Hexahydronaphthalen-1-Yl]-3,5-Dihydroxyheptanoic Acid
• Synonyms: (3R,5R)-7-[(1S,2S,6R,8S,8Ar)-2,6-Dimethyl-8-[(2S)-2-Methylbutanoyl]Oxy-1,2,6,7,8,8A-Hexahydronaphthalen-1-Yl]-3,5-Dihydroxy-Heptanoic Acid; (3R,5R)-7-[(1S,2S,6R,8S,8Ar)-2,6-Dimethyl-8-[(2S)-2-Methyl-1-Oxobutoxy]-1,2,6,7,8,8A-Hexahydronaphthalen-1-Yl]-3,5-Dihydroxyheptanoic Acid; (3R,5R)-7-[(1S,2S,6R,8S,8Ar)-2,6-Dimethyl-8-[(2S)-2-Methylbutanoyl]Oxy-1,2,6,7,8,8A-Hexahydronaphthalen-1-Yl]-3,5-Dihydroxy-Enanthic Acid
• Molecular Formula: C₂₄H₃₈O₆
• Molecular Weight: 422.56
• CAS Registry Number: 77285-87-1
• SMILES: [C@@H]12C(=C[C@@H](C[C@@H]1OC(=O)[C@H](CC)C)C)C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(=O)O)O)O
• InChI: 1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
• InChIKey: QLJODMDSTUBWDW-BXMDZJJMSA-N

Properties

• Density: 1.148g/cm³ (Cal.)
• Boiling point: 602.299°C at 760 mmHg (Cal.)
• Flash point: 199.101°C (Cal.)