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T 2 Toxin

CAS Registry Number®

21259-20-1

CAS Name

T 2 Toxin

Molecular Formula

C24H34O9

Molecular Mass

466.52

Cite this Page

T 2 Toxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21259-20-1 (retrieved 2024-12-29) (CAS RN: 21259-20-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151-152 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1

InChIKey

InChIKey=BXFOFFBJRFZBQZ-QYWOHJEZSA-N

SMILES

C[C@@]12[C@@]3([C@@]([C@H](O)[C@H]1OC(C)=O)(O[C@]4([C@]2(COC(C)=O)C[C@H](OC(CC(C)C)=O)C(C)=C4)[H])[H])CO3

Canonical SMILES

O=C(OCC12CC(OC(=O)CC(C)C)C(=CC2OC3C(O)C(OC(=O)C)C1(C)C43OC4)C)C

Other Names for this Substance

  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3α,4β,8α)-
  • Trichothec-9-ene-3α,4β,8α,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-isovalerate
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-3,4,8,15-tetrol deriv.
  • 8α-(3-Methylbutyryloxy)-4β,15-diacetoxyscirp-9-en-3α-ol
  • 4β,15-Diacetoxy-8α-(3-methylbutyryloxy)-12,13-epoxytrichothec-9-en-3α-ol

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Deleted or Replaced CAS Registry Numbers

116163-69-0, 9061-58-9, 11051-21-1, 22916-10-5, 22916-18-3, 25152-34-5, 26400-47-5, 27640-92-2, 36653-66-4, 60119-99-5, 145427-93-6

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