Nivalenol
CAS Registry Number®
23282-20-4
No image available.
CAS Name
NivalenolMolecular Formula
C15H20O7Molecular Mass
312.32Cite 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 ) (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
