tomentosic acid

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IUPAC Name :(1R,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChI :InChI=1/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22+,23-,26+,27+,28-,29-,30+/m1/s1
Std.InChI: InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22+,23-,26+,27+,28-,29-,30+/m1/s1
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InChIKey :IFIQVSCCFRXSJV-GCVAJSGBBK
Std.InChIKey: IFIQVSCCFRXSJV-GCVAJSGBSA-N
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SMILES :C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@H](C(CC5)(C)C)O)C(=O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C
Molar Refractivity :138.13 ± 0.4 cm3 (est)
Parachor :1124.0 ± 6.0 cm3 (est)
Index of Refraction :1.592 ± 0.03 (est)
Surface Tension :57.6 ± 5.0 dyne/cm (est)
Density :1.23 ± 0.1 g/cm3 (est)
Polarizability :54.76 ± 0.5 10-24cm3 (est)