Vomitoxin

C₁₅H₂₀O₆CAS 51481-10-8296.32 g/mol

Open in Covalent MOL file

Alcohol Alkene Epoxide Ether Ketone

Properties

Molecular formula: C₁₅H₂₀O₆
Molar mass: 296.32 g/mol
Exact mass: 296.1260 Da
Melting point: 151–153 °C
Boiling point: 500–550 °C
logP: -0.84Crippen estimate
Polar surface area: 99.5 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 1
Stereocentres: R, R, R, R, R, S, Sin SMILES atom order

Hazards

Danger

H300 Fatal if swallowed100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

51481-10-8

SMILES

CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@](C)([C@@]2(CO)[C@H](O)C1=O)[C@]31CO1

InChIKey

LINOMUASTDIRTM-QGRHZQQGSA-N

InChI

InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3α,7α)-
Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-en-8-one deriv.
(3α,7α)-12,13-Epoxy-3,7,15-trihydroxytrichothec-9-en-8-one
Dehydronivalenol
Deoxynivalenol
4-Deoxynivalenol
4-Desoxynivalenol
DON
NSC 269144

Work with Vomitoxin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

Trimethylolpropane triacrylate15625-89-5 Rosin (chemical)85026-55-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia