IUPAC Name :methyl (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
InChI :InChI=1/C22H34O4/c1-15(12-14-26-17(3)23)8-10-19-16(2)9-11-20-18(21(24)25-5)7-6-13-22(19,20)4/h12,18-20H,2,6-11,13-14H2,1,3-5H3/b15-12+/t18-,19-,20+,22-/m0/s1
Std.InChI: InChI=1S/C22H34O4/c1-15(12-14-26-17(3)23)8-10-19-16(2)9-11-20-18(21(24)25-5)7-6-13-22(19,20)4/h12,18-20H,2,6-11,13-14H2,1,3-5H3/b15-12+/t18-,19-,20+,22-/m0/s1
InChIKey :MGQMYSVCEMGOPL-WQTQMUQDBL
Std.InChIKey: MGQMYSVCEMGOPL-WQTQMUQDSA-N
SMILES :O=C(OC)[C@H]1CCC[C@]2([C@H](/C(=C)CC[C@H]12)CCC(=C/COC(=O)C)/C)C
Molar Refractivity :102.70 ± 0.4 cm3 (est)
Parachor :862.8 ± 6.0 cm3 (est)
Index of Refraction :1.500 ± 0.03
(est)
Surface Tension :37.3 ± 5.0 dyne/cm (est)
Density :1.03 ± 0.1 g/cm3 (est)
Polarizability :40.71 ± 0.5 10-24cm3 (est)