IUPAC Name :(3R,4aS,5S,7R,8R,8aR)-7-[[(3S,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]-2-(carboxymethoxy)-3,8-dihydroxy-2,4a,5,7,8,8a-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid
InChI :InChI=1/C41H60O15/c1-35(2)14-16-40(32(47)48)17-15-38(6)20(21(40)18-35)8-9-23-37(5)12-11-24(36(3,4)22(37)10-13-39(23,38)7)53-31-26(44)27-28(29(54-31)30(45)46)56-41(51,33(49)50)34(55-27)52-19-25(42)43/h8,21-24,26-29,31,34,44,51H,9-19H2,1-7H3,(H,42,43)(H,45,46)(H,47,48)(H,49,50)/t21-,22?,23+,24-,26+,27+,28-,29-,31+,34?,37-,38+,39+,40-,41-/m0/s1
Std.InChI: InChI=1S/C41H60O15/c1-35(2)14-16-40(32(47)48)17-15-38(6)20(21(40)18-35)8-9-23-37(5)12-11-24(36(3,4)22(37)10-13-39(23,38)7)53-31-26(44)27-28(29(54-31)30(45)46)56-41(51,33(49)50)34(55-27)52-19-25(42)43/h8,21-24,26-29,31,34,44,51H,9-19H2,1-7H3,(H,42,43)(H,45,46)(H,47,48)(H,49,50)/t21-,22?,23+,24-,26+,27+,28-,29-,31+,34?,37-,38+,39+,40-,41-/m0/s1
InChIKey :JZICHZJWNUYONS-YVPIGEEUBF
Std.InChIKey: JZICHZJWNUYONS-YVPIGEEUSA-N
SMILES :C[C@]12CC[C@@H](C(C1CC[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]7[C@@H]([C@H](O6)C(=O)O)O[C@](C(O7)OCC(=O)O)(C(=O)O)O)O
Molar Refractivity :195.50 ± 0.4 cm3 (est)
Parachor :1628.2 ± 6.0 cm3 (est)
Index of Refraction :1.606 ± 0.03
(est)
Surface Tension :68.3 ± 5.0 dyne/cm (est)
Density :1.40 ± 0.1 g/cm3 (est)
Polarizability :77.50 ± 0.5 10-24cm3 (est)