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Methyl ester of (1Z,2S,3E,7E,11Z,13R)-13-Acetoxy-2,16-epoxy-16-oxocembra-1(15),3,7,11,-tetraen-20-oic acid
SpectraBase Compound ID IE2aYpDAz7l
InChI InChI=1S/C23H32O6/c1-14-8-6-10-15(2)12-20-19(16(3)22(25)29-20)13-21(28-17(4)24)18(11-7-9-14)23(26)27-5/h8,11-12,16,19-21H,6-7,9-10,13H2,1-5H3/b14-8+,15-12-,18-11-/t16?,19?,20-,21+/m0/s1
InChIKey NJYBZFPQFYPNER-GHYUTHKOSA-N
Mol Weight 404.5 g/mol
Molecular Formula C23H32O6
Exact Mass 404.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iRMuUII4eO
Name Methyl ester of (1Z,2S,3E,7E,11Z,13R)-13-Acetoxy-2,16-epoxy-16-oxocembra-1(15),3,7,11,-tetraen-20-oic acid
Alternate Name(s) Methyl (5R,15aR)-5-(acetyloxy)-3,10,14-trimethyl-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O6
InChI InChI=1S/C23H32O6/c1-14-8-6-10-15(2)12-20-19(16(3)22(25)29-20)13-21(28-17(4)24)18(11-7-9-14)23(26)27-5/h8,11-12,16,19-21H,6-7,9-10,13H2,1-5H3/b14-8+,15-12-,18-11-/t16?,19?,20-,21+/m0/s1
InChIKey NJYBZFPQFYPNER-GHYUTHKOSA-N
Molecular Weight 404.503 g/mol
SMILES [C@@]1(\C(=C\CC\C(=C\CC\C(=C/[C@]2(C(C1)C(C(O2)=O)C)[H])C)C)C(=O)OC)(OC(=O)C)[H]
SPLASH splash10-0006-9303000000-198a44eee6a19ed94119
Source of Spectrum B-35-67-0
Wiley ID 1371348