HT 2 Toxin
CAS Registry Number®
26934-87-2
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CAS Name
HT 2 ToxinMolecular Formula
C22H32O8Molecular Mass
424.48Cite this Page
HT 2 Toxin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=26934-87-2 (retrieved ) (CAS RN: 26934-87-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
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
InChIKey
InChIKey=PNKLMTPXERFKEN-MLXHEQMXSA-N
SMILES
C[C@]12[C@@]3([C@](O[C@]4([C@]1(COC(C)=O)C[C@H](OC(CC(C)C)=O)C(C)=C4)[H])([C@H](O)[C@H]2O)[H])CO3
Canonical SMILES
O=C(OCC12CC(OC(=O)CC(C)C)C(=CC2OC3C(O)C(O)C1(C)C43OC4)C)C
Other Names for this Substance
- Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3α,4β,8α)-
- Trichothec-9-ene-3α,4β,8α,15-tetrol, 12,13-epoxy-, 15-acetate 8-isovalerate
- Isovaleric acid, 8-ester with 12,13-epoxytrichothec-9-ene-3α,4β,8α,15-tetrol 15-acetate
- Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-3,4,8,15-tetrol deriv.
- 3,4-Dihydroxy-15-acetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-Δ9-trichothecene
Deleted or Replaced CAS Registry Numbers
116163-63-4, 61356-56-7, 145427-92-5
