IUPAC Name :(1S,2R,4aS,6aR,6aS,6bR,10R,11R,12aR,14bR)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
InChI :InChI=1/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21?,22-,23-,24+,27+,28-,29-,30+/m1/s1
Std.InChI: InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21?,22-,23-,24+,27+,28-,29-,30+/m1/s1
InChIKey :HFGSQOYIOKBQOW-MMNUXRFXBO
Std.InChIKey: HFGSQOYIOKBQOW-MMNUXRFXSA-N
SMILES :O=C(O)[C@@]54[C@@H](/C3=C/C[C@H]1[C@](CCC2[C@]1(C)C[C@@H](O)[C@H](O)C2(C)C)(C)[C@]3(C)CC4)[C@@H](C)[C@H](C)CC5
MDL: MFCD06794973
Molar Refractivity :135.03 ± 0.4 cm3 (est)
Parachor :1091.6 ± 6.0 cm3 (est)
Index of Refraction :1.566 ± 0.03
(est)
Surface Tension :48.5 ± 5.0 dyne/cm (est)
Density :1.14 ± 0.1 g/cm3 (est)
Polarizability :53.53 ± 0.5 10-24cm3 (est)