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Violoxanthin

CAT: 0926-FV61389-04Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FV61389-04Size:5 mg
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CAS Number
126-29-4
Synonyms
All-trans-Violaxanthin; Zeaxanthin diepoxide;5a,6a:5'a,6'a-Bisoxy-5,5',6,6'-tetrahydro-b, b-carotene-3b,3b'-diol
Smiles
C/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
Molecular Formula
C40H56O4
Molecular Weight
600.89 g/mol
Controlled
No

Chemical Information

Violaxanthin

All-trans-violaxanthin is the all-trans-stereoisomer of violaxanthin. It has a role as a food colouring.

CAS Number126-29-4
PubChem CID448438
IUPAC Name(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Molecular FormulaC40H56O4
Molecular Weight600.9
XLogP9.8
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count44
Formal Charge0
Complexity1270
SMILES
C/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
InChI
InChI=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
InChIKey
SZCBXWMUOPQSOX-WVJDLNGLSA-N
Chemical Structure
2D Structure
2D structure of Violaxanthin
CAS: 126-29-4
CID: 448438
Formula: C40H56O4
MW: 600.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.9
XLogP39.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass600.41786026
Monoisotopic Mass600.41786026
Topological Polar Surface Area65.5 Ų
Heavy Atom Count44
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count9
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FV46272-01Violaxanthin - solution in ethanol

Alternative Products

CatalogName
292031-01Violoxanthin discontinued. See 353201
291986-01Violoxanthin (solution in ethanol) discontinued. See 353201

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