Basic information
- CAS
6985-27-9- Standard SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=O)C(C)(C)CCC1- InChIKey
NGISIFNAHMKVQR-SSRYJDFZSA-N- Molecular formula
- C22H30O
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.22966558
Overview
14'-apo-beta-carotenal is a carotenal and an enal.
Names & identifiers
- Preferred name
- beta-Apo-14'-carotenal
- IUPAC
- (2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenal
- English name
- beta-apo-14'-carotenal
- Molecular formula
- C22H30O
- Molecular weight
- 310.47
Names & synonyms
14'-apo-beta-Carotenalbeta-Apo-14'-carotenal14'-Apo-beta,psi-carotenal6985-27-914'-apo-beta-caroten-14'-alCHEBI:17457DTXSID901315740RefChem:78538DTXCID201745631(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaenal-Apo-14'-carotenalC06734
Show more names
2,4,6,8,10-Undecapentaenal, 5,9-dimethyl-11-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E,8E,10E)-
beta-Apo-14a(2)-carotenalSCHEMBL2833942CHEMBL1952258LMPR01070297(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohex-1-en-1-yl)undeca-2,4,6,8,10-pentaenalQ271024075,9-dimethyl-11-[(2,6,6-trimethyl-1-cyclohexenyl)]undeca-2,4,6, 8,10-pentaenal14'-apo-beta,psi-carotenal; 14'-apo-beta-Carotenal; 14'-apo-beta-carotenal; beta-apo-14'-carotenal
Database identifiers
- CAS
6985-27-9- PubChem CID
- 5280992
- DTXSID
DTXSID901315740- ChEMBL
CHEMBL1952258
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 589
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
Physicochemical properties
- Boiling point
- 457.6 · 457.6±14.0 °C(Predicted)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Additional notes
DefinitionChEBI: 14'-apo-beta-carotenal is an enal and a carotenal.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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