Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 3-acetate, (3α,4β)-

CAS Registry Number®

70402-13-0

CAS Name

Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 3-acetate, (3α,4β)-

Molecular Formula

C17H24O6

Molecular Mass

324.37

Cite this Page

Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 3-acetate, (3α,4β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70402-13-0 (retrieved 2025-01-03) (CAS RN: 70402-13-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(22-10(2)19)13(20)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15-,16-,17+/m1/s1

InChIKey

InChIKey=NFFRTZSZVQIMDJ-OINWIYPRSA-N

SMILES

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

Canonical SMILES

O=C(OC1C(O)C2(C)C3(OC3)C1OC4C=C(C)CCC42CO)C

Other Names for this Substance

  • Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 3-acetate, (3α,4β)-
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-3,4,15-triol deriv.
  • 3-Acetoxyscirpene-4,15-diol
  • 3-Acetoxyscirpenol

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