Basic information
- Standard SMILES
CC1=CCCC(C)(C)[C@H]1/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
NBZANZVJRKXVBH-NHWXEJKLSA-N- Molecular formula
- C40H56O
- Average molar mass
- 552.9 g/mol
- Monoisotopic mass
- 552.43311641
Names & identifiers
- Preferred name
- Zeinoxanthin
- IUPAC
- (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
- English name
- (1S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
- Molecular formula
- C40H56O
- Molecular weight
- 552.87
Names & synonyms
Zeinoxanthin3-Hydroxy-alpha-carotene(3R,6'R)-beta,epsilon-caroten-3-olJ02CU7E14HCHEBI:65244(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol(1R)-3,5,5-trimethyl-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-((1R)-2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)cyclohex-3-en-1-olRefChem:93450024480-38-4Physoxanthinall-trans-Zeinoxanthin(Z)-Zeinoxanthin
Show more names
α-CryptoxanthinALPHA-CRYPTOXANTHIN(3R,6'R)-α-Cryptoxanthin(3R,6'R)-β,ε-Caroten-3-olTRANS-ALPHA-CRYPTOXANTHINα-Cryptoxanthin (Standard)β,ε-Caroten-3-ol, (3R,6'R)-alpha-Cryptoxanthin >=90.0% (HPLC)(1S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
(all-E)-zeinoxanthinZeinoxanthin, all-transbeta,epsilon-carotene-3-ol(all-E)-alpha-cryptoxanthinUNII-J02CU7E14HSCHEMBL109939orb2943086orb3139348
Database identifiers
- CAS
24480-38-4- PubChem CID
- 5281234
- DTXSID
DTXSID40920516- ChEBI
CHEBI:65244- UNII
- J02CU7E14H
- Nikkaji
- J16.690A
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,240
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- solid
- InChIKey
- NBZANZVJRKXVBH-NHWXEJKLSA-N
- SMILES
- CC(/C=C/C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(\C=C\[C@@H]2C(C)(C)CCC=C2C)C
- FDA UNII
- 2 CU7E14H · J02CU7E14H
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 32 · NA.32
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesZeinoxanthin is an antioxidant carotenoid found in various foods such as oranges as well as in the tissues of the human eye.
Upstream & downstream products
Downstream products
Suppliers6 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: Zeinoxanthin is a carotenol, the structure of which is (6'R)-beta,epsilon-carotene hydroxy-substituted at C-3 with R-stereochemistry. It derives from a hydride of a (6'R)-beta,epsilon-carotene.
Related reactions
1 records
Linked notes
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