XAT

(3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL


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Chemical Component Summary

Name(3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL
SynonymsVIOLAXANTHIN
Identifiers(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
FormulaC40 H56 O4
Molecular Weight600.87
TypeNON-POLYMER
Isomeric SMILESC/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)\C
InChIInChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1
InChIKeySZCBXWMUOPQSOX-WVJDLNGLSA-N

Chemical Details

Formal Charge0
Atom Count100
Chiral Atom Count6
Bond Count103
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03460 
NameViolaxanthin
Groups experimental
Synonyms
  • trans-violaxanthin
  • zeaxanthin diepoxide
  • Violaxanthin
  • all-trans-violaxanthin
Categories
  • Alkenes
  • Biological Factors
  • Carotenoids
  • Cyclohexanes
  • Cyclohexenes
CAS number126-29-4

Related Resource References

Resource NameReference
PubChem 448438
ChEBI CHEBI:35288