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Cyclotetradeca[b]furan-6-carboxylic acid, 2,4,5,8,9,12,13,15a-octahydro-5-hydroxy-3,10,14-trimethyl-2-oxo-, methyl ester, [5R-(3Z,5R*,6Z,10E,14E,15aS*)]-
SpectraBase Compound ID 1okMsyPtGEW
InChI InChI=1S/C21H28O5/c1-13-7-5-9-14(2)11-19-17(15(3)20(23)26-19)12-18(22)16(10-6-8-13)21(24)25-4/h7,10-11,18-19,22H,5-6,8-9,12H2,1-4H3/b13-7-,14-11-,16-10+/t18-,19+/m1/s1
InChIKey QOFSQIDQLLDFQM-ZUILPZRTSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91ZcTTk8HMs
Name Cyclotetradeca[b]furan-6-carboxylic acid, 2,4,5,8,9,12,13,15a-octahydro-5-hydroxy-3,10,14-trimethyl-2-oxo-, methyl ester, [5R-(3Z,5R*,6Z,10E,14E,15aS*)]-
CAS Registry Number 81575-99-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-13-7-5-9-14(2)11-19-17(15(3)20(23)26-19)12-18(22)16(10-6-8-13)21(24)25-4/h7,10-11,18-19,22H,5-6,8-9,12H2,1-4H3/b13-7-,14-11-,16-10+/t18-,19+/m1/s1
InChIKey QOFSQIDQLLDFQM-ZUILPZRTSA-N
Molecular Weight 360.450 g/mol
SMILES O[C@]1(\C(C(=O)OC)=C/CC\C(C)=C/CC\C(=C/[C@]2(C(=C(C(=O)O2)C)C1)[H])C)[H]
SPLASH splash10-0ku6-9501000000-6ff8ff88c3f6d620fc9c
Source of Spectrum B-35-66-0
Synonyms Methyl (5R,15aS)-5-hydroxy-3,10,14-trimethyl-2-oxo-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-6-carboxylate Methyl ester of (1Z,2S,3E,7E,11Z,13R)-2,16-epoxy-13-hydroxy-16-oxobra-1(15),3,7,11-tetraen-20-oic acid
Wiley ID 1348440