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Trichotheca-9,12-diene-4,15-diol, (4.alpha.,11.beta.)-(.+-.)-
SpectraBase Compound ID 12sdXDg1trA
InChI InChI=1S/C15H22O3/c1-9-4-5-15(8-16)13(6-9)18-11-7-12(17)14(15,3)10(11)2/h6,11-13,16-17H,2,4-5,7-8H2,1,3H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey XARFTSXTPBVXCB-UXXRCYHCSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jb2QyFh56HQ
Name Trichotheca-9,12-diene-4,15-diol, (4.alpha.,11.beta.)-(.+-.)-
CAS Registry Number 82916-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9-4-5-15(8-16)13(6-9)18-11-7-12(17)14(15,3)10(11)2/h6,11-13,16-17H,2,4-5,7-8H2,1,3H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey XARFTSXTPBVXCB-UXXRCYHCSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@@]1(C[C@@]2(C([C@]1([C@]1(CO)[C@@](O2)(C=C(CC1)C)[H])C)=C)[H])[H]
SPLASH splash10-0006-9400000000-dd6c16f014477662e760
Source of Spectrum C-106-394-0
Synonyms (4alpha,11beta)-trichotheca-9,12-diene-4,15-diol 2,5-Methano-1-benzoxepin, trichotheca-9,12-diene-4,15-diol deriv. 4.alpha.,15-dihydroxy-11-epitrichothecane-9,12-diene 4.alpha.,15-dihydroxytrichothecane-9,12-diene
Wiley ID 1253604