azukisapogenol

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IUPAC Name :(4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
InChI :InChI=1/C30H48O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21?,22-,23+,25-,26?,27+,28-,29-,30-/m1/s1
Std.InChI: InChI=1S/C30H48O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21?,22-,23+,25-,26?,27+,28-,29-,30-/m1/s1
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InChIKey :VVWRIMSHBALFKN-XFCCUOHHBE
Std.InChIKey: VVWRIMSHBALFKN-XFCCUOHHSA-N
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SMILES :C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@H]1CC(CC2)(C)C(=O)O)C
Molar Refractivity :135.11 ± 0.4 cm3 (est)
Parachor :1094.0 ± 6.0 cm3 (est)
Index of Refraction :1.569 ± 0.03 (est)
Surface Tension :49.6 ± 5.0 dyne/cm (est)
Density :1.14 ± 0.1 g/cm3 (est)
Polarizability :53.56 ± 0.5 10-24cm3 (est)