Basic information
- CAS
472-73-1- Standard SMILES
CC1=C[C@@H](O)CC(C)(C)\C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1/C(C)=C[C@@H](O)CC1(C)C- InChIKey
DHHWDJUUTBWANN-WUEUEEBUSA-N- Molecular formula
- C40H54O2
- Average molar mass
- 566.9 g/mol
- Monoisotopic mass
- 566.41238096
Overview
Eschscholtzxanthin is a xanthophyll.
Names & identifiers
- Preferred name
- (3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol
- IUPAC
- (1S,4E)-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-3,5,5-trimethylcyclohex-2-en-1-ol
- English name
- (3S,3'S)-4',5'-Didehydro-4,5'-retro-β,β-carotene-3,3'-diol
- Molecular formula
- C40H54O2
- Molecular weight
- 566.86
Names & synonyms
Eschscholtzxanthin472-73-1(1S,4E)-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-3,5,5-trimethylcyclohex-2-en-1-olDTXSID20415091(3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol(1S,4E)-4-((2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-((4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene)-3,5,5-trimethylcyclohex-2-en-1-olRefChem:1050311DTXCID80365942C08593CHEBI:4851SCHEMBL1463072LMPR01070023
Show more names
(3S,3'S)-4',5'-Didehydro-4,5'-retro-β,β-carotene-3,3'-diol4,5'-retro-β,β-Carotene-3,3'-diol, 4',5'-didehydro-, (3S,3'S)-
Q27106506(3S,3'S,6E,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-4,4'-Didehydro-beta,beta-carotene-3,3'-diol472-75-3
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,230
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
Chemistry & industry
Additional notes
DefinitionChEBI: Eschscholtzxanthin is a xanthophyll.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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