IUPAC Name :(2R,4aR,6aR,6aS,6bR,10R,11S,12aR,14bR)-10,11-dihydroxy-2-methoxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChI :InChI=1/C31H48O6/c1-26(2)21-10-11-30(6)22(28(21,4)17-20(32)23(26)33)9-8-18-19-16-27(3,25(36)37-7)12-14-31(19,24(34)35)15-13-29(18,30)5/h8,19-23,32-33H,9-17H2,1-7H3,(H,34,35)/t19-,20+,21?,22-,23+,27-,28+,29-,30-,31+/m1/s1
Std.InChI: InChI=1S/C31H48O6/c1-26(2)21-10-11-30(6)22(28(21,4)17-20(32)23(26)33)9-8-18-19-16-27(3,25(36)37-7)12-14-31(19,24(34)35)15-13-29(18,30)5/h8,19-23,32-33H,9-17H2,1-7H3,(H,34,35)/t19-,20+,21?,22-,23+,27-,28+,29-,30-,31+/m1/s1
InChIKey :XINANDRKNJRDBH-KSJJSBHMBX
Std.InChIKey: XINANDRKNJRDBH-KSJJSBHMSA-N
SMILES :C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H](C5(C)C)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)OC
Molar Refractivity :141.57 ± 0.4 cm3 (est)
Parachor :1157.6 ± 6.0 cm3 (est)
Index of Refraction :1.569 ± 0.03
(est)
Surface Tension :51.7 ± 5.0 dyne/cm (est)
Density :1.19 ± 0.1 g/cm3 (est)
Polarizability :56.12 ± 0.5 10-24cm3 (est)