IUPAC Name :(E,4S,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid
InChI :InChI=1/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21,23,31-32,35H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+/t15-,17+,18-,19+,21+,23+,28+,29-,30+/m1/s1
Std.InChI: InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21,23,31-32,35H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+/t15-,17+,18-,19+,21+,23+,28+,29-,30+/m1/s1
InChIKey :JTBDTJVGIGEPFI-OBCYCKOUBA
Std.InChIKey: JTBDTJVGIGEPFI-OBCYCKOUSA-N
SMILES :C[C@H](C[C@@H](/C=C(\C)/C(=O)O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C)O
Molar Refractivity :138.31 ± 0.4 cm3 (est)
Parachor :1134.4 ± 6.0 cm3 (est)
Index of Refraction :1.580 ± 0.03
(est)
Surface Tension :55.7 ± 5.0 dyne/cm (est)
Density :1.24 ± 0.1 g/cm3 (est)
Polarizability :54.83 ± 0.5 10-24cm3 (est)