jacobine

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IUPAC Name :(15S,20S)-12-hydroxy-15,20-dihydro-15,20-epoxysenecionan-11,16-dione
InChI :InChI=1/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1
Std.InChI: InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1
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InChIKey :IAPHXJRHXBQDQJ-WKMWQDDRBL
Std.InChIKey: IAPHXJRHXBQDQJ-WKMWQDDRSA-N
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SMILES :C[C@@H]1C[C@]2([C@@H](O2)C)C(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@]1(C)O
Molar Refractivity :87.70 ± 0.4 cm3 (est)
Parachor :716.0 ± 6.0 cm3 (est)
Index of Refraction :1.583 ± 0.03 (est)
Surface Tension :55.5 ± 5.0 dyne/cm (est)
Density :1.33 ± 0.1 g/cm3 (est)
Polarizability :34.76 ± 0.5 10-24cm3 (est)