(19E)-19,20-Didehydro-12-hydroxyajmalan-17-one

Catalog	BBC3911191
CAS	3911-19-1
Synonyms	Ajmalan-17-one
IUPAC Name	(9R,12R,13Z,16S,17S)-13-ethylidene-6-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-one
Molecular Weight	322.4
Molecular Formula	C20H22N2O2
Canonical SMILES	C/C=C/1\CN2[C@H]3CC45[C@H](C2C[C@@H]1[C@@H]3C4=O)N(C6=C5C=CC=C6O)C
InChI	InChI=1S/C20H22N2O2/c1-3-10-9-22-13-7-11(10)16-14(22)8-20(19(16)24)12-5-4-6-15(23)17(12)21(2)18(13)20/h3-6,11,13-14,16,18,23H,7-9H2,1-2H3/b10-3+/t11-,13?,14-,16-,18-,20?/m0/s1
InChI Key	VVLPFXAEVKKWTK-JTJLKIRNSA-N
Boiling Point	522.1±50.0 °C
Melting Point	322 °C
Purity	98%
Density	1.41±0.1 g/ml
Appearance	Powder
pKa	9.72±0.20