betulin

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InChI :InChI=1/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
Std.InChI: InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChIKey :FVWJYYTZTCVBKE-ROUWMTJPBQ
Std.InChIKey: FVWJYYTZTCVBKE-ROUWMTJPSA-N
SMILES :CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO
MDL: MFCD00016802
Molar Refractivity :133.30 ± 0.3 cm3 (est)
Parachor :1073.0 ± 6.0 cm3 (est)
Index of Refraction :1.524 ± 0.02 (est)
Surface Tension :36.9 ± 3.0 dyne/cm (est)
Density :1.017 ± 0.06 g/cm3 (est)
Polarizability :52.84 ± 0.5 10-24cm3 (est)