IUPAC Name :(2R,6R)-6-[(3S,5R,10S,12S,13R,14R,15R,17R)-12-acetyloxy-3,15-dihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
InChI :InChI=1/C32H46O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-23,27,36-37H,9-14H2,1-8H3,(H,39,40)/t15-,16-,19-,21+,22+,23-,27-,30+,31+,32+/m1/s1
Std.InChI: InChI=1S/C32H46O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-23,27,36-37H,9-14H2,1-8H3,(H,39,40)/t15-,16-,19-,21+,22+,23-,27-,30+,31+,32+/m1/s1
InChIKey :QVALJVWVGGEFKU-CCAYVTKXBP
Std.InChIKey: QVALJVWVGGEFKU-CCAYVTKXSA-N
SMILES :C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1C[C@H]([C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)OC(=O)C)C)C)O
Molar Refractivity :148.30 ± 0.4 cm3 (est)
Parachor :1242.3 ± 6.0 cm3 (est)
Index of Refraction :1.562 ± 0.03
(est)
Surface Tension :54.6 ± 5.0 dyne/cm (est)
Density :1.25 ± 0.1 g/cm3 (est)
Polarizability :58.79 ± 0.5 10-24cm3 (est)