Molecular properties
- Formula
- C20H28O2
- Molar mass
- 300.44 g·mol−1
- Exact mass
- 300.2089 Da
- 7
- PubChem CID
- 5282379
Molecule record
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
C20H28O2
300.44 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkene
Carboxylic acid
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 13-RA
- 13-cis-Retinoic acid
- 13-cis-Vitamin A acid
- 4759-48-2
- Absorica
- Accutane
- Amnesteem
- Claravis
Show all 24 synonyms
- Isotretinoin
- Isotretinoine
- Isotretinoinum
- Isotrex
- Myorisan
- Neovitamin A acid
- RETINOIC ACID, 13-cis-
- Ro-4-3780
- Roaccutan
- Roaccutane
- Roacutan
- Sotret
- Teriosal
- Zenatane
- isotretinoina
- isotretinoino
Structure identifiers
- Canonical SMILES
- CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1
- Isomeric SMILES
- CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C
- InChI
- InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-
- InChIKey
- SHGAZHPCJJPHSC-XFYACQKRSA-N
- PubChem CID
- 5282379
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.