IUPAC Name :(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol
InChI :InChI=1/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Std.InChI: InChI=1S/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey :QGVQZRDQPDLHHV-DPAQBDIFBL
Std.InChIKey: QGVQZRDQPDLHHV-DPAQBDIFSA-N
SMILES :S[C@H]4CC[C@]3(\C(=C/C[C@H]2[C@H]1[C@]([C@@H]([C@H](C)CCCC(C)C)CC1)(C)CC[C@@H]23)C4)C
MDL: MFCD00003647
Molar Refractivity :126.29 ± 0.4 cm3 (est)
Parachor :1008.9 ± 6.0 cm3 (est)
Index of Refraction :1.530 ± 0.03
(est)
Surface Tension :37.3 ± 5.0 dyne/cm (est)
Density :0.98 ± 0.1 g/cm3 (est)
Polarizability :50.06 ± 0.5 10-24cm3 (est)