6-Benzoyl-12-Methyl-13-Oxo-9(12)-9(12)-Dihomo-18-Podocarpanol
[CAS# 136565-26-9]

Identification

• Name: 6-Benzoyl-12-Methyl-13-Oxo-9(12)-9(12)-Dihomo-18-Podocarpanol
• Synonyms: 9,11A-Methano-11Ah-Cyclohepta(A)Naphthalen-8(9H)-One, 5-(Benzoyloxy)Dodecahydro-4-(Hydroxymethyl)-4,9,11B-Trimethyl-, (4R-(4Alpha,4Aalpha,5Beta,6Abeta,9Beta,11Abeta,11Bbeta))-
• Molecular Formula: C₂₇H₃₆O₄
• Molecular Weight: 424.58
• CAS Registry Number: 136565-26-9
• SMILES: [C@]145[C@H](C[C@@H]([C@@H]2[C@](CCC[C@@]12C)(C)CO)OC(C3=CC=CC=C3)=O)CC([C@](CC4)(C5)C)=O
• InChI: 1S/C27H36O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-20,22,28H,7,10-17H2,1-3H3/t19-,20+,22-,24-,25+,26-,27-/m1/s1
• InChIKey: CFPMRJFTBKYCRR-WBQBDWMHSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 545.089°C at 760 mmHg (Cal.)
• Flash point: 177.52°C (Cal.)