IUPAC Name :(2R)-2-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
InChI :InChI=1/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)21-7-8-22-19-6-5-17-12-18(30)13-25(31)28(17,4)23(19)9-10-27(21,22)3/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3/t16-,18+,19-,21+,22-,23-,24+,25-,27+,28-/m0/s1
Std.InChI: InChI=1S/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)21-7-8-22-19-6-5-17-12-18(30)13-25(31)28(17,4)23(19)9-10-27(21,22)3/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3/t16-,18+,19-,21+,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey :FYYIHVSEGVWNCF-RMDUJBCIBE
Std.InChIKey: FYYIHVSEGVWNCF-RMDUJBCISA-N
SMILES :CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@H](C[C@@H](C5)O)O)C)C)CO
Molar Refractivity :126.92 ± 0.4 cm3 (est)
Parachor :1021.1 ± 6.0 cm3 (est)
Index of Refraction :1.583 ± 0.03
(est)
Surface Tension :52.2 ± 5.0 dyne/cm (est)
Density :1.20 ± 0.1 g/cm3 (est)
Polarizability :50.31 ± 0.5 10-24cm3 (est)