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Trichothec-9-en-8-one, 12,13-epoxy-3,4,7,15-tetrahydroxy-, (3.alpha.,4.beta.,7.alpha.)-
SpectraBase Compound ID 4gX5wbUOUgZ
InChI InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9?,10?,11?,12-,13-,14+,15+/m0/s1
InChIKey UKOTXHQERFPCBU-PYCCVLBCSA-N
Mol Weight 312.32 g/mol
Molecular Formula C15H20O7
Exact Mass 312.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID owHIX8KSxB
Name Trichothec-9-en-8-one, 12,13-epoxy-3,4,7,15-tetrahydroxy-, (3.alpha.,4.beta.,7.alpha.)-
Alternate Name(s) 12,13-Epoxy-3,4,7,15-tetrahydroxytrichothec-9-en-8-one 3-.alpha.,4-.beta.,7-.alpha.,15-Tetrahydroxyscirp-9-en-8-one 3-Alpha,4-beta,7-alpha,15-tetrahydroxy-12,13-epoxytrichothec-9-en-8-one 3-Alpha,4-beta,7-alpha,15-tetrahydroxyscirp-9-en-8-one Nivalenol Trichothec-9-en-8-one, 12,13-epoxy-3,4,7,15-tetrahydroxy-, (3-alpha,4-beta,7-alpha)- Trichothec-9-en-8-one, 12,13-epoxy-3alpha,4beta,7alpha,15-tetrahydroxy- BRN 3625724 CCRIS 4141 HSDB 3517 NSC 269143
CAS Registry Number 23282-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O7
InChI InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9?,10?,11?,12-,13-,14+,15+/m0/s1
InChIKey UKOTXHQERFPCBU-PYCCVLBCSA-N
Molecular Weight 312.318 g/mol
SMILES OC[C@@]12[C@]3([C@@]4([C@](C(C3O)O)(O[C@]1(C=C(C(=O)C2O)C)[H])[H])OC4)C
SPLASH splash10-054o-8910000000-bb1d1c566129db200844
Source of Spectrum MY-1981-0-0
Wiley ID 1313029