3-Acetyldeoxynivalenol
CAS Registry Number®
50722-38-8
CAS Name
3-AcetyldeoxynivalenolMolecular Formula
C17H22O7Molecular Mass
338.35Cite this Page
3-Acetyldeoxynivalenol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=115825-62-2 (retrieved ) (CAS RN: 50722-38-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1
InChIKey
InChIKey=ADFIQZBYNGPCGY-HTJQZXIKSA-N
SMILES
C[C@@]12[C@@]3([C@@]([C@H](OC(C)=O)C1)(O[C@]4([C@]2(CO)[C@H](O)C(=O)C(C)=C4)[H])[H])CO3
Canonical SMILES
O=C(OC1CC2(C)C3(OC3)C1OC4C=C(C(=O)C(O)C42CO)C)C
Other Names for this Substance
- Trichothec-9-en-8-one, 3-(acetyloxy)-12,13-epoxy-7,15-dihydroxy-, (3α,7α)-
- Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-en-8-one deriv.
- (3α,7α)-3-(Acetyloxy)-12,13-epoxy-7,15-dihydroxytrichothec-9-en-8-one
- Dehydronivalenol monoacetate
- Deoxynivalenol monoacetate
Deleted or Replaced CAS Registry Numbers
115825-62-2, 233593-19-6