IUPAC Name :(E,4S,6R)-4-hydroxy-2-methyl-6-[(3S,5R,7S,10S,12S,13R,14R,17R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
InChI :InChI=1/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h11,14,16-20,25,31-33,36H,8-10,12-13H2,1-7H3,(H,37,38)/b15-11+/t14-,16+,17-,18+,19+,20+,25-,28+,29+,30+/m1/s1
Std.InChI: InChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h11,14,16-20,25,31-33,36H,8-10,12-13H2,1-7H3,(H,37,38)/b15-11+/t14-,16+,17-,18+,19+,20+,25-,28+,29+,30+/m1/s1
InChIKey :SFQSUCWHIWDMMD-CTKNUVLNBN
Std.InChIKey: SFQSUCWHIWDMMD-CTKNUVLNSA-N
SMILES :C[C@H](C[C@@H](/C=C(\C)/C(=O)O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)O)C)C
Molar Refractivity :139.82 ± 0.4 cm3 (est)
Parachor :1149.3 ± 6.0 cm3 (est)
Index of Refraction :1.592 ± 0.03
(est)
Surface Tension :59.9 ± 5.0 dyne/cm (est)
Density :1.28 ± 0.1 g/cm3 (est)
Polarizability :55.43 ± 0.5 10-24cm3 (est)