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Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3.alpha.,4.beta.,7.beta.)-
SpectraBase Compound ID npNh2iwqjW
InChI InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11?,12?,13?,14-,15-,16+,17+/m0/s1
InChIKey XGCUCFKWVIWWNW-ABQSXXAMSA-N
Mol Weight 354.36 g/mol
Molecular Formula C17H22O8
Exact Mass 354.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gdy0kwGBnM
Name Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3.alpha.,4.beta.,7.beta.)-
Alternate Name(s) 12,13-Epoxy-3-alpha,4-beta,7-beta,15-tetrahydroxytrichothec-9-en-8-one 4-acetate 3,7,15-Trihydroxy-4-acetoxy-8-oxo-12,13-epoxy-delta(sup 9)-trichothecene 3,7,15-Trihydroxyscirp-4-acetoxy-9-en-8-one 4-Acetyloxy-12,13-epoxy-3,7,15-trihydroxy-(3-alpha,4-beta,7-beta)-trichothec-9-en-8-one Fusarenon Fusarenon X Fusarenone X Nivalenol monoacetate Nivalenol-4-O-acetate Trichothec-9-en-8-one, 12,13-epoxy-3alpha,4beta,7beta,15-tetrahydroxy-, 4-acetate Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3-alpha,4-beta,7-beta)- CCRIS 4922 HSDB 3486 NSC 197211
CAS Registry Number 23255-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O8
InChI InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11?,12?,13?,14-,15-,16+,17+/m0/s1
InChIKey XGCUCFKWVIWWNW-ABQSXXAMSA-N
Molecular Weight 354.355 g/mol
SMILES OC[C@@]12C(O)C(C(=C[C@@]2(O[C@@]2([C@]3([C@@]1(C)C(C2O)OC(C)=O)OC3)[H])[H])C)=O
SPLASH splash10-002g-6920000000-96879d267a0cdcc3c0a4
Source of Spectrum MY-1981-0-0
Wiley ID 1344377