Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-hydroxy-3-methylbutanoate), (3α,4β,8α)-

CAS Registry Number®

78368-54-4
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CAS Name

Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-hydroxy-3-methylbutanoate), (3α,4β,8α)-

Molecular Formula

C22H32O9

Molecular Mass

440.48

Cite this Page

Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-hydroxy-3-methylbutanoate), (3α,4β,8α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78368-54-4 (retrieved 2024-05-16) (CAS RN: 78368-54-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H32O9/c1-11-6-14-21(9-28-12(2)23,7-13(11)30-15(24)8-19(3,4)27)20(5)17(26)16(25)18(31-14)22(20)10-29-22/h6,13-14,16-18,25-27H,7-10H2,1-5H3/t13-,14+,16+,17+,18+,20+,21+,22-/m0/s1

InChIKey

InChIKey=OJBCMLLFVXXDGS-QDSVCGCGSA-N

SMILES

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

Canonical SMILES

O=C(OCC12CC(OC(=O)CC(O)(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-hydroxy-3-methylbutanoate), (3α,4β,8α)-
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-3,4,8,15-tetrol deriv.
  • 3′-Hydroxy-toxin HT-2
  • TC 3
  • 3′-Hydroxy HT-2 toxin

Deleted or Replaced CAS Registry Numbers

97373-17-6, 103654-63-3, 120902-40-1, 84598-16-3

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