chempirical

Zeaxanthin

C40H56O2CAS 144-68-3568.89 g/mol

Open in Covalent MOL file
OHHO
AlcoholAlkene

Properties

Molecular formula
C40H56O2
Molar mass
568.89 g/mol
Exact mass
568.4280 Da
Melting point
215.5 °C
logP
10.55Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
10
Stereocentres
R, Rin SMILES atom order
Double bonds
E, E, E, E, E, E, E, E, EE/Z, in SMILES order

Identifiers

CAS number
144-68-3
SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
InChIKey
JKQXZKUSFCKOGQ-QAYBQHTQSA-N
InChI
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

Weigh it out

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

Names and synonyms

18 names · show all
  • β,β-Carotene-3,3′-diol, (3R,3′R)-
  • β-Carotene-3,3′-diol, (3R,3′R)-all-trans-
  • (3R,3′R)-β,β-Carotene-3,3′-diol
  • Zeaxanthin, all-trans-
  • Xanthophyll 3
  • Anchovyxanthin
  • Zeaxanthol
  • Anchovyxanthin, all-trans-
  • All-trans-Anchovyxanthin
  • All-trans-Zeaxanthin
  • (3R,3′R)-Zeaxanthin
  • ZeaGold
  • E 161H
  • Optisharp
  • All-trans-3R,3′R-Zeaxanthin
  • Luteinofta
  • All-E-Zeaxanthin
  • (3R,3′R)-Dihydroxy-β-carotene

Work with Zeaxanthin

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

Capsanthin465-42-971 % similar β-Carotene7235-40-760 % similar Astaxanthin472-61-753 % similar Vitamin A11103-57-452 % similar Retinol68-26-852 % similar Retinal116-31-451 % similar Retinoic acid302-79-449 % similar Isotretinoin4759-48-249 % similar

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

Same formula

Lutein127-40-2 Retinyl retinoate15498-86-9

Elsewhere

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