IUPAC Name :(E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enal
InChI :InChI=1/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,24-25,33H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,25+,28-,29-,30+/m1/s1
Std.InChI: InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,24-25,33H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,25+,28-,29-,30+/m1/s1
InChIKey :PIOYBULRRJNPSG-GPEQXWBKBD
Std.InChIKey: PIOYBULRRJNPSG-GPEQXWBKSA-N
SMILES :C[C@H](CC/C=C(\C)/C=O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Molar Refractivity :133.86 ± 0.4 cm3 (est)
Parachor :1086.0 ± 6.0 cm3 (est)
Index of Refraction :1.541 ± 0.03
(est)
Surface Tension :42.3 ± 5.0 dyne/cm (est)
Density :1.06 ± 0.1 g/cm3 (est)
Polarizability :53.06 ± 0.5 10-24cm3 (est)