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Proctorione C - acetate
SpectraBase Compound ID 5yqSN9nGTd0
InChI InChI=1S/C26H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(28)25-23(29)19-20-24(26(25)30)31-21(2)27/h8-9,24,29H,3-7,10-20H2,1-2H3/b9-8+
InChIKey OEPSYTKAGRBPHX-CMDGGOBGSA-N
Mol Weight 434.6 g/mol
Molecular Formula C26H42O5
Exact Mass 434.303224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FZUvELr8hG
Name Proctorione C - acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O5
InChI InChI=1S/C26H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(28)25-23(29)19-20-24(26(25)30)31-21(2)27/h8-9,24,29H,3-7,10-20H2,1-2H3/b9-8+
InChIKey OEPSYTKAGRBPHX-CMDGGOBGSA-N
Molecular Weight 434.617 g/mol
SMILES OC1=C(C(C(OC(=O)C)CC1)=O)C(=O)CCCCCCCCC\C=C\CCCCCC
SPLASH splash10-014i-0902000000-71169830bca62d7617a3
Source of Spectrum G4-63-401-4
Synonyms 4-Acetoxy-1-hydroxy-2-[1'-oxooctadec-11'-en-1'-yl)-cyclohex-1-en-3-one 4-Hydroxy-3-[(11E)-11-octadecenoyl]-2-oxo-3-cyclohexen-1-yl acetate
Wiley ID 1608285