andrographolide

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IUPAC Name :(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
InChI :InChI=1/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
Std.InChI: InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
InChIKey :BOJKULTULYSRAS-OTESTREVBQ
Std.InChIKey: BOJKULTULYSRAS-OTESTREVSA-N
SMILES :O=C\3OC[C@@H](O)C/3=C/C[C@@H]1\C(=C)CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C
MDL: MFCD07778082
Molar Refractivity :94.13 ± 0.4 cm3 (est)
Parachor :772.9 ± 6.0 cm3 (est)
Index of Refraction :1.567 ± 0.03 (est)
Surface Tension :51.9 ± 5.0 dyne/cm (est)
Density :1.21 ± 0.1 g/cm3 (est)
Polarizability :37.31 ± 0.5 10-24cm3 (est)