IUPAC Name :(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5S)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
InChI :InChI=1/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30?/m1/s1
Std.InChI: InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30?/m1/s1
InChIKey :KASALCUNLBTNAA-VIKWRQSJBT
Std.InChIKey: KASALCUNLBTNAA-VIKWRQSJSA-N
SMILES :C[C@H](CC[C@@H](C(C)(CO)O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
MDL: MFCD07779162
Molar Refractivity :136.82 ± 0.4 cm3 (est)
Parachor :1111.1 ± 6.0 cm3 (est)
Index of Refraction :1.559 ± 0.03
(est)
Surface Tension :47.2 ± 5.0 dyne/cm (est)
Density :1.11 ± 0.1 g/cm3 (est)
Polarizability :54.24 ± 0.5 10-24cm3 (est)