IUPAC Name :(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-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]-4-[(1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid
InChI :InChI=1/C41H62O15/c1-36(2)14-16-41(35(51)52)17-15-39(6)20(21(41)18-36)8-9-23-38(5)12-11-24(37(3,4)22(38)10-13-40(23,39)7)54-34-27(45)29(26(44)30(56-34)32(49)50)55-33(28(46)31(47)48)53-19-25(42)43/h8,21-24,26-30,33-34,44-46H,9-19H2,1-7H3,(H,42,43)(H,47,48)(H,49,50)(H,51,52)/t21-,22-,23+,24-,26-,27+,28+,29-,30-,33-,34+,38-,39+,40+,41-/m0/s1
Std.InChI: InChI=1S/C41H62O15/c1-36(2)14-16-41(35(51)52)17-15-39(6)20(21(41)18-36)8-9-23-38(5)12-11-24(37(3,4)22(38)10-13-40(23,39)7)54-34-27(45)29(26(44)30(56-34)32(49)50)55-33(28(46)31(47)48)53-19-25(42)43/h8,21-24,26-30,33-34,44-46H,9-19H2,1-7H3,(H,42,43)(H,47,48)(H,49,50)(H,51,52)/t21-,22-,23+,24-,26-,27+,28+,29-,30-,33-,34+,38-,39+,40+,41-/m0/s1
InChIKey :FHMLSFRFOXEUGU-YPXCEIQUBB
Std.InChIKey: FHMLSFRFOXEUGU-YPXCEIQUSA-N
SMILES :C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@@H]([C@@H](C(=O)O)O)OCC(=O)O)O
Molar Refractivity :197.30 ± 0.4 cm3 (est)
Parachor :1656.0 ± 6.0 cm3 (est)
Index of Refraction :1.600 ± 0.03
(est)
Surface Tension :68.1 ± 5.0 dyne/cm (est)
Density :1.37 ± 0.1 g/cm3 (est)
Polarizability :78.21 ± 0.5 10-24cm3 (est)