Nivalenol

CAS Registry Number®

23282-20-4

CAS Name

Nivalenol

Molecular Formula

C15H20O7

Molecular Mass

312.32

Cite this Page

Nivalenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23282-20-4 (retrieved 2024-11-22) (CAS RN: 23282-20-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    222-223 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15+/m1/s1

InChIKey

InChIKey=UKOTXHQERFPCBU-XBXCNEFVSA-N

SMILES

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

Canonical SMILES

O=C1C(=CC2OC3C(O)C(O)C(C)(C43OC4)C2(CO)C1O)C

Other Names for this Substance

  • Trichothec-9-en-8-one, 12,13-epoxy-3,4,7,15-tetrahydroxy-, (3α,4β,7α)-
  • Trichothec-9-en-8-one, 12,13-epoxy-3α,4β,7α,15-tetrahydroxy-
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-en-8-one deriv.
  • (3α,4β,7α)-12,13-Epoxy-3,4,7,15-tetrahydroxytrichothec-9-en-8-one
  • 12,13-Epoxy-3α,4β,7α,15-tetrahydroxytrichothec-9-en-8-one

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration