IUPAC Name :(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
InChI :InChI=1/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26-,27+/m0/s1
Std.InChI: InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26-,27+/m0/s1
InChIKey :NKDFYOWSKOHCCO-QUOJMMGDBU
Std.InChIKey: NKDFYOWSKOHCCO-QUOJMMGDSA-N
SMILES :O=C1\C=C3/[C@@H]([C@]2(C[C@H](O)[C@H](O)C[C@@H]12)C)CC[C@]4([C@@]3(O)CC[C@@H]4[C@@](O)(C)[C@H](O)CCC(O)(C)C)C
MDL: MFCD00036740
Molar Refractivity :127.81 ± 0.4 cm3 (est)
Parachor :1054.0 ± 6.0 cm3 (est)
Index of Refraction :1.596 ± 0.03
(est)
Surface Tension :62.2 ± 5.0 dyne/cm (est)
Density :1.28 ± 0.1 g/cm3 (est)
Polarizability :50.66 ± 0.5 10-24cm3 (est)