4-Deacetylneosolaniol

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Systematic / IUPAC Name: (3β,4α,8α)-3,4,8-Trihydroxy-12,13-epoxytrichothec-9-en-15-yl acetate

ID: Reference8006

Other Names: 4-Desacetylneosolaniol;
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate, (3-α,4-β,8-α)-;
TMR 1

Formula: C17H24O7

Spectral Data

4-Deacetylneosolaniol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 215
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/28/2018 12:41:58 PM
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Identificators

InChI InChI=1S/C17H24O7/c1-8-4-11-16(5-10(8)19,6-22-9(2)18)15(3)13(21)12(20)14(24-11)17(15)7-23-17/h4,10-14,19-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17-/m0/s1
InChI Key FCLYQYOJLQDQNA-BNWDXEGFSA-N
Canonical SMILES CC1=CC2C(CC1O)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C
CAS
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Other Names 4-Desacetylneosolaniol;
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate, (3-α,4-β,8-α)-;
TMR 1

In Other Databases

ChemIDPlus 074833399
ChEMBL CHEMBL486002
PubChem 156312
ChemSpider 137649