IUPAC Name :6-[6-carboxy-2-[[11-carboxy-14b-(hydroxymethyl)-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI :InChI=1/C42H64O16/c1-37(2)21-9-11-41(6)22(8-7-19-20-17-39(4,36(53)54)14-13-38(20,3)15-16-40(19,41)5)42(21,18-43)12-10-23(37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h17,19,21-31,34-35,43-48H,7-16,18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)
Std.InChI: InChI=1S/C42H64O16/c1-37(2)21-9-11-41(6)22(8-7-19-20-17-39(4,36(53)54)14-13-38(20,3)15-16-40(19,41)5)42(21,18-43)12-10-23(37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h17,19,21-31,34-35,43-48H,7-16,18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)
InChIKey :YVHGFLRTSDMQKR-UHFFFAOYAL
Std.InChIKey: YVHGFLRTSDMQKR-UHFFFAOYSA-N
SMILES :CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)CO)CCC6C3(CCC7(C6=CC(CC7)(C)C(=O)O)C)C)C)C
Molar Refractivity :202.78 ± 0.4 cm3 (est)
Parachor :1689.4 ± 6.0 cm3 (est)
Index of Refraction :1.625 ± 0.03
(est)
Surface Tension :75.5 ± 5.0 dyne/cm (est)
Density :1.43 ± 0.1 g/cm3 (est)
Polarizability :80.39 ± 0.5 10-24cm3 (est)