convallamarogenin

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InChI :InChI=1/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
Std.InChI: InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
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InChIKey :XLHFBXMTUNORSV-ZENYHQJXBV
Std.InChIKey: XLHFBXMTUNORSV-ZENYHQJXSA-N
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SMILES :C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4([C@@H](C[C@@H](C5)O)O)C)C)O[C@]16CCC(=C)CO6
Molar Refractivity :120.73 ± 0.4 cm3 (est)
Parachor :965.4 ± 6.0 cm3 (est)
Index of Refraction :1.572 ± 0.03 (est)
Surface Tension :48.0 ± 5.0 dyne/cm (est)
Density :1.17 ± 0.1 g/cm3 (est)
Polarizability :47.86 ± 0.5 10-24cm3 (est)