T-2 Triol

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

ID: Reference6150

Other Names: 3-α,4-β,15-Trihydroxy-8-α-(3-methylbutyryloxy)-12,13-epoxytrichothec-9-ene;
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 8-(3-methylbutanoate), (3α,4β,8α)-;
Toxin T-2 triol

Formula: C20H30O7

Class: Natural Toxins

Spectral Data

T-2 Triol 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 Elite
No. of Spectral Trees 1
No. of Spectra 2567
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/6/2016 2:25:11 PM
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Identificators

InChI InChI=1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3/t12-,13+,15+,16+,17+,18+,19+,20?/m0/s1
InChI Key DDAUKBBLCGQHIP-VFVREVADSA-N
Canonical SMILES CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)CO
CAS
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Other Names 3-α,4-β,15-Trihydroxy-8-α-(3-methylbutyryloxy)-12,13-epoxytrichothec-9-ene;
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 8-(3-methylbutanoate), (3α,4β,8α)-;
Toxin T-2 triol

In Other Databases

PubChem 3034801
ChemSpider 2299199
ChemIDPlus 034114982