AC1L4DYM

methyl (1S,16R,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14-pentaene-19-carboxylate

Also Known As: Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-|Methyl 17-hydroxy-19-methyl-20,21-didehydro-18-oxayohimban-16-carboxylate|Methyl 17-hydroxy-19beta-methyl-20,21-didehydro-18-oxayohimban-16-carboxylate

Molecular Formula	C21H24N2O4
Molecular Weight	368.1736 g/mol
LogP	2.1
Topological Polar Surface Area	74.8 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	368.1736
Monoisotopic Mass	368.1736
Heavy Atoms	27
Complexity	638.0

Chemical Identifiers

CAS Number	69284-02-2
SMILES	C[C@@H]1C2=CN3CCC4=C([C@@H]3C[C@@H]2C(C(O1)O)C(=O)OC)NC5=CC=CC=C45
InChIKey	VNZAGMCDYZBYNC-YCPBRXDTSA-N