(R)-2-Methylbutanoic Acid (3R,3aalpha,7aalpha,9aalpha)-Dodecahydro-3-Hydroxy-3-Hydroxymethyl-4abeta,8alpha-Dimethyl-2,5-Dioxoazuleno[6,5-b]Furan-7alpha-Yl Ester
[CAS# 51292-61-6]

Identification

• Name: (R)-2-Methylbutanoic Acid (3R,3aalpha,7aalpha,9aalpha)-Dodecahydro-3-Hydroxy-3-Hydroxymethyl-4abeta,8alpha-Dimethyl-2,5-Dioxoazuleno[6,5-b]Furan-7alpha-Yl Ester
• Synonyms: 2-Methylbutanoic Acid [(1R,3Ar,5R,5As,6S,8As,9As)-1-Hydroxy-1-(Hydroxymethyl)-5,8A-Dimethyl-2,8-Dioxo-3A,4,5,5A,6,7,9,9A-Octahydroazuleno[5,6-D]Furan-6-Yl] Ester; 2-Methylbutyric Acid [(1R,3Ar,5R,5As,6S,8As,9As)-1-Hydroxy-2,8-Diketo-5,8A-Dimethyl-1-Methylol-3A,4,5,5A,6,7,9,9A-Octahydroazuleno[5,6-D]Furan-6-Yl] Ester; Butanoic Acid, 2-Methyl-, Dodecahydro-3-Hydroxy-3-(Hydroxymethyl)-4A,8-Dimethyl-2,5-Dioxoazuleno(6,5-B)Furan-7-Yl Ester, (3R-(3Alpha,3Abeta,4Aalpha,7Beta(R*),7Abeta,8Beta,9Abeta))-
• Molecular Formula: C₂₀H₃₀O₇
• Molecular Weight: 382.45
• CAS Registry Number: 51292-61-6
• SMILES: [C@H]12[C@H](OC(=O)[C@]1(O)CO)C[C@H]([C@H]3[C@](C2)(C(=O)C[C@@H]3OC(=O)C(CC)C)C)C
• InChI: 1S/C20H30O7/c1-5-10(2)17(23)26-14-7-15(22)19(4)8-12-13(6-11(3)16(14)19)27-18(24)20(12,25)9-21/h10-14,16,21,25H,5-9H2,1-4H3/t10?,11-,12+,13-,14+,16-,19-,20+/m1/s1
• InChIKey: SMAJXKLVHWNBRU-QTTWJULZSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 513.876°C at 760 mmHg (Cal.)
• Flash point: 175.211°C (Cal.)