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4-Deoxy-7-oxo-brefeldin A

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4-Deoxy-7-oxo-brefeldin A
SpectraBase Compound ID 3Z97r0GYdHC
InChI InChI=1S/C16H22O3/c1-12-6-3-2-4-7-13-10-15(17)11-14(13)8-5-9-16(18)19-12/h4-5,7,9,12-14H,2-3,6,8,10-11H2,1H3/b7-4+,9-5+
InChIKey UDDNPQNPTKOYIF-XCIOYXGDSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IzuPAdDB3m
Name 4H-Cyclopent[f]oxacyclotridecin-4,13(1H)-dione, 6,7,8,9,11a,12,14,14a-octahydro-6-methyl-, [6S-(2E,6R*,10E,11aS*,14aS*)]-
CAS Registry Number 95216-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-12-6-3-2-4-7-13-10-15(17)11-14(13)8-5-9-16(18)19-12/h4-5,7,9,12-14H,2-3,6,8,10-11H2,1H3/b7-4+,9-5+
InChIKey UDDNPQNPTKOYIF-XCIOYXGDSA-N
Molecular Weight 262.349 g/mol
SMILES C1(OC(C)CCC\C=C\C2C(C\C=C\1)CC(=O)C2)=O
SPLASH splash10-00lu-9010000000-10410810a7c1456ac03d
Source of Spectrum C-107-2473-0
Synonyms 4-Deoxy-7-oxobrefeldin A 4-Deoxy-7-oxobrefeldin isomer 6-Methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecin-4,13(1H)-dione
Wiley ID 1266114