IUPAC Name :(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
InChI :InChI=1/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
Std.InChI: InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
InChIKey :JXSVIVRDWWRQRT-UYDOISQJBR
Std.InChIKey: JXSVIVRDWWRQRT-UYDOISQJSA-N
SMILES :O=C(O)[C@@]54[C@H](/C3=C/C[C@@H]2[C@]1(C[C@@H](O)[C@H](O)[C@@]([C@@H]1CC[C@@]2(C)[C@]3(C)CC4)(C)CO)C)[C@@H](C)[C@H](C)CC5
MDL: MFCD00238541
Molar Refractivity :136.57 ± 0.4 cm3 (est)
Parachor :1108.7 ± 6.0 cm3 (est)
Index of Refraction :1.579 ± 0.03
(est)
Surface Tension :53.0 ± 5.0 dyne/cm (est)
Density :1.18 ± 0.1 g/cm3 (est)
Polarizability :54.14 ± 0.5 10-24cm3 (est)