4,4a,6b,8a,11,11,12b,14a-Octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl benzoate
[CAS# 87913-21-1]

Identification

• Name: 4,4a,6b,8a,11,11,12b,14a-Octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl benzoate
• Synonyms: (4R,4AS,6AS,6BR,8AR,12AR,12BS,14AS,14BS)-4,4A,6B,8A,11,11,12B,14A-OCTAMETHYL-1,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-ICOSAHYDROPICEN-3-YL BENZOATE
• Molecular Formula: C₃₇H₅₄O₂
• Molecular Weight: 530.82
• CAS Registry Number: 87913-21-1
• SMILES: O=C(O\C1=C\CC5C(C)(C1C)CCC3C5(C)CCC4(C2CC(CCC2(C)CCC34C)(C)C)C)c6ccccc6
• InChI: 1S/C37H54O2/c1-25-27(39-31(38)26-12-10-9-11-13-26)14-15-28-34(25,5)17-16-29-35(28,6)21-23-37(8)30-24-32(2,3)18-19-33(30,4)20-22-36(29,37)7/h9-14,25,28-30H,15-24H2,1-8H3
• InChIKey: WXMSEPJHVMCHOU-UHFFFAOYSA-N

Properties

• Density: 1.06g/cm³ (Cal.)
• Boiling point: 572.539°C at 760 mmHg (Cal.)
• Flash point: 241.145°C (Cal.)