(3R,5R)-7-[(1S,2R,3S,8S,8aR)-3-Hydroxy-2-Methyl-8-[(2S)-2-Methylbutanoyl]Oxy-1,2,3,7,8,8a-Hexahydronaphthalen-1-Yl]-3,5-Dihydroxy-Heptanoic Acid
[CAS# 81131-74-0]

Identification

• Name: (3R,5R)-7-[(1S,2R,3S,8S,8aR)-3-Hydroxy-2-Methyl-8-[(2S)-2-Methylbutanoyl]Oxy-1,2,3,7,8,8a-Hexahydronaphthalen-1-Yl]-3,5-Dihydroxy-Heptanoic Acid
• Synonyms: (3R,5R)-7-[(1S,2R,3S,8S,8Ar)-3-Hydroxy-2-Methyl-8-[(2S)-2-Methylbutanoyl]Oxy-1,2,3,7,8,8A-Hexahydronaphthalen-1-Yl]-3,5-Dihydroxy-Heptanoic Acid; (3R,5R)-7-[(1S,2R,3S,8S,8Ar)-3-Hydroxy-2-Methyl-8-[(2S)-2-Methyl-1-Oxobutoxy]-1,2,3,7,8,8A-Hexahydronaphthalen-1-Yl]-3,5-Dihydroxyheptanoic Acid; (3R,5R)-7-[(1S,2R,3S,8S,8Ar)-3-Hydroxy-2-Methyl-8-[(2S)-2-Methylbutanoyl]Oxy-1,2,3,7,8,8A-Hexahydronaphthalen-1-Yl]-3,5-Dihydroxy-Enanthic Acid
• Molecular Formula: C₂₃H₃₆O₇
• Molecular Weight: 424.53
• CAS Registry Number: 81131-74-0
• SMILES: [C@@H]12[C@H]([C@H]([C@H](O)C=C1C=CC[C@@H]2OC(=O)[C@H](CC)C)C)CC[C@@H](O)C[C@@H](O)CC(=O)O
• InChI: 1S/C23H36O7/c1-4-13(2)23(29)30-20-7-5-6-15-10-19(26)14(3)18(22(15)20)9-8-16(24)11-17(25)12-21(27)28/h5-6,10,13-14,16-20,22,24-26H,4,7-9,11-12H2,1-3H3,(H,27,28)/t13-,14+,16+,17+,18-,19+,20-,22-/m0/s1
• InChIKey: HIZIJHNJVQOXLO-YMUQFYNDSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 640.296°C at 760 mmHg (Cal.)
• Flash point: 215.488°C (Cal.)