2-deoxybrassinolide

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InChI :InChI=1/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25+,27+,28+/m0/s1
Std.InChI: InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25+,27+,28+/m0/s1
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InChIKey :LLFIMDUWAVPJEJ-AVWWTISCBE
Std.InChIKey: LLFIMDUWAVPJEJ-AVWWTISCSA-N
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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(CC[C@H](C4)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
Molar Refractivity :129.66 ± 0.3 cm3 (est)
Parachor :1080.4 ± 6.0 cm3 (est)
Index of Refraction :1.523 ± 0.02 (est)
Surface Tension :42.1 ± 3.0 dyne/cm (est)
Density :1.095 ± 0.06 g/cm3 (est)
Polarizability :51.40 ± 0.5 10-24cm3 (est)