IUPAC Name :(6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
InChI :InChI=1/C30H46O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22-24,33-34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,20-,22+,23+,24+,28+,29-,30-/m1/s1
Std.InChI: InChI=1S/C30H46O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22-24,33-34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,20-,22+,23+,24+,28+,29-,30-/m1/s1
InChIKey :YPYHGMCHNBTMDB-GOGDEKJEBG
Std.InChIKey: YPYHGMCHNBTMDB-GOGDEKJESA-N
SMILES :C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O
Molar Refractivity :137.09 ± 0.4 cm3 (est)
Parachor :1133.5 ± 6.0 cm3 (est)
Index of Refraction :1.558 ± 0.03
(est)
Surface Tension :50.7 ± 5.0 dyne/cm (est)
Density :1.18 ± 0.1 g/cm3 (est)
Polarizability :54.34 ± 0.5 10-24cm3 (est)