(4R-(4alpha,4aalpha,5beta,6abeta,9beta,11abeta,11bbeta))-5-(benzoyloxy)tetradecahydro-4,9,11b-trimethyl-9,11a-Methano-11aH-cyclohepta(a)naphthalene-4-carboxylic acid
[CAS# 114804-65-8]

Identification

• Name: (4R-(4alpha,4aalpha,5beta,6abeta,9beta,11abeta,11bbeta))-5-(benzoyloxy)tetradecahydro-4,9,11b-trimethyl-9,11a-Methano-11aH-cyclohepta(a)naphthalene-4-carboxylic acid
• Synonyms: Ccris 7113
• Molecular Formula: C₂₇H₃₄O₅
• Molecular Weight: 438.56
• CAS Registry Number: 114804-65-8
• SMILES: C1=CC=CC=C1C(OC2CC4C5(C3(C2C(CCC3)C(=O)OC)C)CCC(C(C4)=O)(C5)C)=O
• InChI: 1S/C27H34O5/c1-25-12-13-27(16-25)18(15-21(25)28)14-20(32-23(29)17-8-5-4-6-9-17)22-19(24(30)31-3)10-7-11-26(22,27)2/h4-6,8-9,18-20,22H,7,10-16H2,1-3H3
• InChIKey: XWERFIQAQACZCX-UHFFFAOYSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 540.767°C at 760 mmHg (Cal.)
• Flash point: 230.765°C (Cal.)