Isorhynchophylline

Catalog	BBC6859014
CAS	6859-01-4
Structure
Synonyms	(7S,16E,20R)-16,17-Didehydro-17-methoxy-2-oxocorynoxan-16-carboxylic acid methyl ester
IUPAC Name	Methyl (E)-2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Molecular Weight	370.45
Molecular Formula	C21H26N2O4
Canonical SMILES	CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O
InChI	InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1
InChI Key	DAXYUDFNWXHGBE-VKCGGMIFSA-N
Boiling Point	560.8±50.0 °C
Melting Point	114 °C
Purity	98%
Density	1.23 g/ml
Appearance	White powder
pKa	13.61±0.60