brassinolide

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InChI :InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
Std.InChI: InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
InChIKey :IXVMHGVQKLDRKH-KNBKMWSGBW
Std.InChIKey: IXVMHGVQKLDRKH-KNBKMWSGSA-N
SMILES :C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
Molar Refractivity :131.25 ± 0.3 cm3 (est)
Parachor :1095.4 ± 6.0 cm3 (est)
Index of Refraction :1.535 ± 0.02 (est)
Surface Tension :45.8 ± 3.0 dyne/cm (est)
Density :1.141 ± 0.06 g/cm3 (est)
Polarizability :52.03 ± 0.5 10-24cm3 (est)