Basic information
- Standard SMILES
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO- InChIKey
FPIPGXGPPPQFEQ-UHFFFAOYSA-N- Molecular formula
- C20H30O
- Average molar mass
- 286.5 g/mol
- Monoisotopic mass
- 286.22966558
Overview
Retinol is a retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). It has a role as a human metabolite. It is a primary allylic alcohol and a retinoid.
Names & identifiers
- Preferred name
- 9-cis Retinol
- IUPAC
- 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
Names & synonyms
9-cis retinol3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-olRefChem:107495834218-73-0C20H30Ocis-retinola retinolSpectrum_001273Spectrum2_001450Spectrum3_000929Spectrum4_001028SCHEMBL3113
Show more names
KBioGR_001555KBioSS_001753DivK1c_000486SPBio_001319KBio1_000486KBio2_001753KBio2_004321KBio2_006889
Database identifiers
- CAS
34218-73-0- PubChem CID
- 1071
- DTXSID
DTXSID80859073- ChEBI
CHEBI:50211- EC Number
- 608-959-2
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 496
Related reactions
5 records
Linked notes
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