IUPAC Name :(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
InChI :InChI=1/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23-,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1
Std.InChI: InChI=1S/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23-,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1
InChIKey :YJBVHJIKNLBFDX-MQURJEHKBE
Std.InChIKey: YJBVHJIKNLBFDX-MQURJEHKSA-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]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C
MDL: MFCD03788773
Molar Refractivity :143.10 ± 0.4 cm3 (est)
Parachor :1165.3 ± 6.0 cm3 (est)
Index of Refraction :1.543 ± 0.03
(est)
Surface Tension :43.6 ± 5.0 dyne/cm (est)
Density :1.09 ± 0.1 g/cm3 (est)
Polarizability :56.73 ± 0.5 10-24cm3 (est)