IUPAC Name :[(1S,3R,8S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-4-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]butan-2-yl]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate
InChI :InChI=1/C30H46O7/c1-16-18(15-36-27(16)34)12-25(33)30(5,35)24-9-8-22-21-7-6-19-13-20(32)14-26(37-17(2)31)29(19,4)23(21)10-11-28(22,24)3/h6,16,18,20-26,32-33,35H,7-15H2,1-5H3/t16-,18-,20-,21+,22+,23?,24+,25-,26+,28+,29+,30-/m1/s1
Std.InChI: InChI=1S/C30H46O7/c1-16-18(15-36-27(16)34)12-25(33)30(5,35)24-9-8-22-21-7-6-19-13-20(32)14-26(37-17(2)31)29(19,4)23(21)10-11-28(22,24)3/h6,16,18,20-26,32-33,35H,7-15H2,1-5H3/t16-,18-,20-,21+,22+,23?,24+,25-,26+,28+,29+,30-/m1/s1
InChIKey :ODRFODNLKCBNIK-KAIOXINDBN
Std.InChIKey: ODRFODNLKCBNIK-KAIOXINDSA-N
SMILES :C[C@@H]1[C@@H](COC1=O)C[C@H]([C@@](C)([C@H]2CC[C@@H]3[C@@]2(CCC4[C@H]3CC=C5[C@@]4([C@H](C[C@@H](C5)O)OC(=O)C)C)C)O)O
Molar Refractivity :138.57 ± 0.4 cm3 (est)
Parachor :1140.9 ± 6.0 cm3 (est)
Index of Refraction :1.569 ± 0.03
(est)
Surface Tension :53.0 ± 5.0 dyne/cm (est)
Density :1.22 ± 0.1 g/cm3 (est)
Polarizability :54.93 ± 0.5 10-24cm3 (est)