IUPAC Name :(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
InChI :InChI=1/C35H56O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19-20,22-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,20+,22+,23+,24-,25+,26+,27+,28-,29-,32+,33-,34-,35+/m1/s1
Std.InChI: InChI=1S/C35H56O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19-20,22-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,20+,22+,23+,24-,25+,26+,27+,28-,29-,32+,33-,34-,35+/m1/s1
InChIKey :GZQIINDHMUJEAM-MUPFVPTMBY
Std.InChIKey: GZQIINDHMUJEAM-MUPFVPTMSA-N
SMILES :C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
Molar Refractivity :161.09 ± 0.4 cm3 (est)
Parachor :1314.1 ± 6.0 cm3 (est)
Index of Refraction :1.577 ± 0.03
(est)
Surface Tension :53.4 ± 5.0 dyne/cm (est)
Density :1.21 ± 0.1 g/cm3 (est)
Polarizability :63.86 ± 0.5 10-24cm3 (est)