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Citranaxanthin

CAT: 0926-FC57727-03Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FC57727-03Size:2 mg
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CAS Number
3604-90-8
Synonyms
5',6'-Dihydro-5'-apo-18'-nor-b-caroten-6'-one
Smiles
CC1=C (C (CCC1) (C) C) /C=C/C (=C/C=C/C (=C/C=C/C=C (\C) /C=C/C=C (\C) /C=C/C (=O) C) /C) /C
Molecular Formula
C33H44O
Molecular Weight
456.7 g/mol
Controlled
No

Chemical Information

Citranaxanthin

Citranaxanthin is an apo carotenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 1'- and 6'-positions. It has a role as a food colouring. It is an enone and an apo carotenoid.

CAS Number3604-90-8
PubChem CID6436724
IUPAC Name(3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-(2,6,6-trimethylcyclohexen-1-yl)icosa-3,5,7,9,11,13,15,17,19-nonaen-2-one
Molecular FormulaC33H44O
Molecular Weight456.7
XLogP10.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity1000
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C)/C)/C
InChI
InChI=1S/C33H44O/c1-26(16-11-18-28(3)21-23-31(6)34)14-9-10-15-27(2)17-12-19-29(4)22-24-32-30(5)20-13-25-33(32,7)8/h9-12,14-19,21-24H,13,20,25H2,1-8H3/b10-9+,16-11+,17-12+,23-21+,24-22+,26-14+,27-15+,28-18+,29-19+
InChIKey
PRDJTOVRIHGKNU-ZWERVMMHSA-N
Chemical Structure
2D Structure
2D structure of Citranaxanthin
CAS: 3604-90-8
CID: 6436724
Formula: C33H44O
MW: 456.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.7
XLogP310.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Exact Mass456.339216023
Monoisotopic Mass456.339216023
Topological Polar Surface Area17.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count9
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-W750691Citranaxanthin
270477-01Citranaxanthin discontinued

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