IUPAC Name :methyl(1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
InChI :InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
Std.InChI: InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
InChIKey :BLGXFZZNTVWLAY-SCYLSFHTBA
Std.InChIKey: BLGXFZZNTVWLAY-SCYLSFHTSA-N
SMILES :O=C(OC)[C@@H]5[C@H]4C[C@H]3c2nc1ccccc1c2CCN3C[C@@H]4CC[C@@H]5O
Molar Refractivity :99.46 ± 0.4 cm3 (est)
Parachor :759.1 ± 6.0 cm3 (est)
Index of Refraction :1.660 ± 0.03
(est)
Surface Tension :63.3 ± 5.0 dyne/cm (est)
Density :1.31 ± 0.1 g/cm3 (est)
Polarizability :39.42 ± 0.5 10-24cm3 (est)