HT 2 Toxin

CAS Registry Number®

26934-87-2

CAS Name

HT 2 Toxin

Molecular Formula

C22H32O8

Molecular Mass

424.48

Cite this Page

HT 2 Toxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26934-87-2 (retrieved 2024-12-22) (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

View All

Deleted or Replaced CAS Registry Numbers

116163-63-4, 61356-56-7, 145427-92-5

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.