chempirical

Retinyl acetate

C22H32O2CAS 127-47-9328.50 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C22H32O2
Molar mass
328.50 g/mol
Exact mass
328.2402 Da
Melting point
57–58 °C
logP
6.08Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6
Double bonds
E, E, E, EE/Z, in SMILES order

Identifiers

CAS number
127-47-9
SMILES
CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIKey
QGNJRVVDBSJHIZ-QHLGVNSISA-N
InChI
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+

Weigh it out

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

Names and synonyms

18 names · show all
  • Retinol, acetate
  • Retinol, acetate, all-trans-
  • Myvak
  • Myvax
  • All-trans-Vitamin A acetate
  • All-trans-Retinyl acetate
  • Vitamin A acetate
  • trans-Retinyl acetate
  • Vitamin A1 acetate
  • Arovit
  • Ro 1-5275
  • All-trans-Retinol acetate
  • trans-Retinol acetate
  • NSC 122045
  • NSC 122760
  • Rovimix A 1000
  • Retinol acetate
  • Dry vitamin A acetate 325CWS/A

Work with Retinyl acetate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Retinyl palmitate79-81-271 % similar β-Carotene7235-40-768 % similar Vitamin A11103-57-465 % similar Retinol68-26-865 % similar Retinal116-31-465 % similar Retinoic acid302-79-462 % similar Isotretinoin4759-48-262 % similar 9-cis-Retinoic acid5300-03-862 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,7,10,13,16,19-Docosahexaenoic acid2091-24-9 3-Oxopregn-4-ene-20-carboxaldehyde24254-01-1 Promestriene39219-28-8 Docosahexaenoic acid6217-54-5

Elsewhere

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