IUPAC Name :(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
InChI :InChI=1/C30H48O5/c1-18(8-9-24(34)30(7,35)17-31)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22,24,31,34-35H,8-17H2,1-7H3/t18-,19-,22+,24?,27-,28-,29+,30?/m1/s1
Std.InChI: InChI=1S/C30H48O5/c1-18(8-9-24(34)30(7,35)17-31)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22,24,31,34-35H,8-17H2,1-7H3/t18-,19-,22+,24?,27-,28-,29+,30?/m1/s1
InChIKey :NAETYGPWGSNZTO-ZWETUDJHBJ
Std.InChIKey: NAETYGPWGSNZTO-ZWETUDJHSA-N
SMILES :C[C@H](CCC(C(C)(CO)O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
Molar Refractivity :137.03 ± 0.4 cm3 (est)
Parachor :1128.7 ± 6.0 cm3 (est)
Index of Refraction :1.554 ± 0.03
(est)
Surface Tension :48.7 ± 5.0 dyne/cm (est)
Density :1.14 ± 0.1 g/cm3 (est)
Polarizability :54.32 ± 0.5 10-24cm3 (est)