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* Service & Products of Interested: [Isotope Labeled Metabolites] HT-2 Toxin-[13C2,d3] (910537-24-5)
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HT-2 Toxin-[13C2,d3]

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General Information
Catalog: BLP-005942
CAS: 910537-24-5
Molecular Formula: C20[13C]2H29D3O8
Molecular Weight: 429.49

Chemical Structure

Description	HT-2 Toxin-[13C2,d3] is an isotope labelled compound of HT-2 toxin. HT-2 toxin is a type A trichothecene mycotoxin and an active, deacetylated metabolite of the trichothecene mycotoxin T-2 toxin.
Synonyms	15-Acetoxy-3α,4β-dihydroxy-8α-(3-methylbutyryloxy)-12,13-epoxytrichothec-9-ene-13C2,d3; 12,13-epoxy-trichothec-9-ene-3α,4β,8α,15-tetrol, 15-acetate 8-(3-methylbutanoate)-13C2,d3
IUPAC Name	[(1S,2R,4S,7R,9R,10R,11S,12S)-10,11-dihydroxy-1,5-dimethyl-2-[(2,2,2-trideuterioacetyl)oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Related CAS	26934-87-2 (unlabelled)
Canonical SMILES	CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C
InChI	InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1/i4+1D3,13+1
InChI Key	PNKLMTPXERFKEN-DXOBKWOSSA-N