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4-Deoxybrefeldin C

View entire compound with spectra: 2 MS (GC)

4-Deoxybrefeldin C
SpectraBase Compound ID 22218QwNoEW
InChI InChI=1S/C16H24O2/c1-13-7-3-2-4-8-14-9-5-10-15(14)11-6-12-16(17)18-13/h4,6,8,12-15H,2-3,5,7,9-11H2,1H3/b8-4-,12-6-/t13-,14+,15-/m0/s1
InChIKey UFJVTCHOTGBHRI-CSKXWYRNSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HU1ncSaOZO
Name 4-Deoxybrefeldin C
Alternate Name(s) 4-Deoxybrefeldin C isomer (6S,11aR,14aS)-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one
CAS Registry Number 95192-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-13-7-3-2-4-8-14-9-5-10-15(14)11-6-12-16(17)18-13/h4,6,8,12-15H,2-3,5,7,9-11H2,1H3/b8-4-,12-6-/t13-,14+,15-/m0/s1
InChIKey UFJVTCHOTGBHRI-CSKXWYRNSA-N
Molecular Weight 248.366 g/mol
SMILES C1(O[C@@](C)(CCC\C=C/[C@]2([C@](C\C=C/1)(CCC2)[H])[H])[H])=O
SPLASH splash10-007o-9400000000-d14b00d630efbe9129b8
Source of Spectrum C-107-2474-0
Wiley ID 1251624