AC1L4CTG structure

AC1L4CTG

[(2S,6R,14R,15S,19R)-19-[(2R)-2-hydroxy-5-methylhexan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-yl] acetate

Also Known As: 6,14-Ethenomorphinan-7-methanol, 3-(acetyloxy)-alpha,17-dimethyl-4,5-epoxy-6-methoxy-alpha-(3-methylbutyl)-, (5-alpha,7-alpha(R))-|(4R,7S,7aR,12bS,14R)-14-[(2R)-2-Hydroxy-5-methylhexan-2-yl]-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-yl acetate|14-(2-Hydroxy-5-methylhexan-2-yl)-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-yl acetate

CAS: 16609-79-3
Molecular Formula C29H39NO5
Molecular Weight 481.28284 g/mol
LogP 4.0
Topological Polar Surface Area 68.2 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 481.28284
Monoisotopic Mass 481.28284
Heavy Atoms 35
Complexity 921.0

Chemical Identifiers

CAS Number 16609-79-3
SMILES CC(C)CC[C@](C)([C@H]1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC(=O)C)O4)C)OC)O
InChIKey RTNBUYPWHDMINM-WTDSKIOASA-N

Product Overview

AC1L4CTG (CAS 16609-79-3), with molecular formula C29H39NO5 and molecular weight 481.28284 g/mol. IUPAC: [(2S,6R,14R,15S,19R)-19-[(2R)-2-hydroxy-5-methylhexan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-yl] acetate.

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