(1R,4S,7aR)-1-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate
[CAS# 68702-86-3]

Identification

• Name: (1R,4S,7aR)-1-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate
• Synonyms: (1R,4S,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-yl benzoate; (S)-Benzoic acid 7R-methyl-1R-(1R,4R,5-trimethyl-hex-2-enyl)-; octahydro-inden-4-yl ester; (S)-Benzoic acid 7R-methyl-1R-(1R,4R,5-trimethyl-hex-2-enyl)-octahydro-inden-4-yl ester
• Molecular Formula: C₂₆H₃₈O₂
• Molecular Weight: 382.58
• CAS Registry Number: 68702-86-3
• SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2[C@@]1(CCC[C@@H]2OC(=O)C3=CC=CC=C3)C
• InChI: 1S/C26H38O2/c1-18(2)19(3)13-14-20(4)22-15-16-23-24(12-9-17-26(22,23)5)28-25(27)21-10-7-6-8-11-21/h6-8,10-11,13-14,18-20,22-24H,9,12,15-17H2,1-5H3/b14-13+/t19-,20+,22+,23?,24-,26+/m0/s1
• InChIKey: GVUBMHPQHYDFDE-JFUNDGHSSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 457.6±14.0°C at 760 mmHg (Cal.)
• Flash point: 208.0±6.3°C (Cal.)