[(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-Diacetyloxy-9-Hydroxy-3,6,6,10,1 4-Pentamethyl-7-Oxo-13-Bicyclo[10.3.0]Pentadeca-4,10-Dienyl] Benzoate
[CAS# 81542-94-1]

Identification

• Name: [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-Diacetyloxy-9-Hydroxy-3,6,6,10,1 4-Pentamethyl-7-Oxo-13-Bicyclo[10.3.0]Pentadeca-4,10-Dienyl] Benzoate
• Synonyms: [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-Diacetoxy-9-Hydroxy-3,6,6,10,14-Pentamethyl-7-Oxo-13-Bicyclo[10.3.0]Pentadeca-4,10-Dienyl] Benzoate; Benzoic Acid [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-Diacetoxy-9-Hydroxy-3,6,6,10,14-Pentamethyl-7-Oxo-13-Bicyclo[10.3.0]Pentadeca-4,10-Dienyl] Ester; Benzoic Acid [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-Diacetoxy-9-Hydroxy-7-Keto-3,6,6,10,14-Pentamethyl-13-Bicyclo[10.3.0]Pentadeca-4,10-Dienyl] Ester
• Molecular Formula: C₃₁H₄₀O₈
• Molecular Weight: 540.65
• CAS Registry Number: 81542-94-1
• SMILES: [C@@]23(OC(=O)C)[C@H]([C@@H](OC(=O)C1=CC=CC=C1)[C@@H](C2)C)\C=C(/[C@H](O)CC(=O)C(\C=C/[C@H]([C@H]3OC(=O)C)C)(C)C)C
• InChI: 1S/C31H40O8/c1-18-13-14-30(6,7)26(35)16-25(34)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,39-22(5)33)28(18)37-21(4)32/h8-15,18,20,24-25,27-28,34H,16-17H2,1-7H3/b14-13-,19-15-/t18-,20-,24+,25-,27+,28-,31-/m1/s1
• InChIKey: OQLAYVOSMBSWSF-FOFWAKMFSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 621.837°C at 760 mmHg (Cal.)
• Flash point: 192.142°C (Cal.)