IUPAC Name :(5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
InChI :InChI=1/C30H46O4/c1-19(8-7-9-20(17-31)18-32)23-16-26(34)30(6)22-10-11-24-27(2,3)25(33)13-14-28(24,4)21(22)12-15-29(23,30)5/h9-10,12,19,23-24,26,31-32,34H,7-8,11,13-18H2,1-6H3/t19-,23-,24+,26+,28-,29-,30-/m1/s1
Std.InChI: InChI=1S/C30H46O4/c1-19(8-7-9-20(17-31)18-32)23-16-26(34)30(6)22-10-11-24-27(2,3)25(33)13-14-28(24,4)21(22)12-15-29(23,30)5/h9-10,12,19,23-24,26,31-32,34H,7-8,11,13-18H2,1-6H3/t19-,23-,24+,26+,28-,29-,30-/m1/s1
InChIKey :SZCAPUAJXOKPIR-AHHFHQBHBW
Std.InChIKey: SZCAPUAJXOKPIR-AHHFHQBHSA-N
SMILES :C[C@H](CCC=C(CO)CO)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
Molar Refractivity :136.50 ± 0.4 cm3 (est)
Parachor :1098.7 ± 6.0 cm3 (est)
Index of Refraction :1.569 ± 0.03
(est)
Surface Tension :48.4 ± 5.0 dyne/cm (est)
Density :1.13 ± 0.1 g/cm3 (est)
Polarizability :54.11 ± 0.5 10-24cm3 (est)