14,15-Didehydro-12-methoxyvincamine structure

14,15-Didehydro-12-methoxyvincamine

methyl (15R,17S,19S)-15-ethyl-17-hydroxy-3-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),13-pentaene-17-carboxylate

Also Known As: 14,15-Didehydro-12-methoxyvincamine|17,18-Didehydro-12-methoxyvincamine|Methyl 14-hydroxy-12-methoxy-17,18-didehydro-14,15-dihydroeburnamenine-14-carboxylate|Methyl 14beta-hydroxy-12-methoxy-3alpha,16alpha-17,18-didehydro-14,15-dihydroeburnamenine-14alpha-carboxylate

CAS: 42496-83-3
Molecular Formula C22H26N2O4
Molecular Weight 382.18927 g/mol
LogP 2.7
Topological Polar Surface Area 63.9 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 382.18927
Monoisotopic Mass 382.18927
Heavy Atoms 28
Complexity 683.0

Chemical Identifiers

CAS Number 42496-83-3
SMILES CC[C@]12C[C@@](N3C4=C(CCN([C@H]41)CC=C2)C5=C3C(=CC=C5)OC)(C(=O)OC)O
InChIKey HXLJZBYCWRILKD-HJNYFJLDSA-N

Product Overview

14,15-Didehydro-12-methoxyvincamine (CAS 42496-83-3), with molecular formula C22H26N2O4 and molecular weight 382.18927 g/mol. IUPAC: methyl (15R,17S,19S)-15-ethyl-17-hydroxy-3-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),13-pentaene-17-carboxylate.

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