IUPAC Name :6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
InChI :InChI=1/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)
Std.InChI: InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)
InChIKey :DPXMETKXNWBGRI-UHFFFAOYAV
Std.InChIKey: DPXMETKXNWBGRI-UHFFFAOYSA-N
SMILES :CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)O)C
Molar Refractivity :228.71 ± 0.4 cm3 (est)
Parachor :1904.6 ± 6.0 cm3 (est)
Index of Refraction :1.622 ± 0.03
(est)
Surface Tension :74.3 ± 5.0 dyne/cm (est)
Density :1.42 ± 0.1 g/cm3 (est)
Polarizability :90.66 ± 0.5 10-24cm3 (est)