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Retinoic acid

View entire compound with spectra: 37 NMR, 2 FTIR, 1 Raman, and 3 MS (GC)

Retinoic acid
SpectraBase Compound ID KV79TseuFy8
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-YCNIQYBTSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2iVbcQbzQ8
Name (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid
Alternate Name(s) (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoic acid (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid .beta.-all-trans-Retinoic acid .beta.-Retinoic acid 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)- 2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)- 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ecl) Retinoic acid 3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid A-acido (argentina) Aberel Acid A vit (belgium, netherlands) Acide retinoique (FRENCH) (DSL) AIROL Aknefug Aknoten all-(E)-Retinoic acid all-trans-b-retinoic acid all-trans-Retinoate all-trans-Retinoic acid all-trans-Tretinoin All-trans-Vitamin A acid all-trans-Vitamin A1 acid ATRA Atragen B-retinoic acid Cordes vas Dermairol Effederm Epi-aberel Eudyna Renova Retacnyl Retin-A Retinoate Retinoic acid, all-trans- Retionic acid trans-Retinoic Acid Tretin M Tretinoin Tretinoin (jan/usp) Tretinoin, all-trans- Tretinoina Tretinoine Tretinoine (frencH) (einecs) Tretinoino Tretinoinum Vesanoid Vesnaroid Vitamin A acid Vitamin A acid, all-trans- Vitamin A acid, trans- Vitamin A1 acid, all-trans- AGN 100335 BRN 2057223 CCRIS 3294 EINECS 206-129-0 HSDB 2169 RO 1-5488
CAS Registry Number 302-79-4
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Formula C20H28O2
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-YCNIQYBTSA-N
Molecular Weight 300.442 g/mol
SMILES OC(\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)=O
SPLASH splash10-000i-9120000000-f8830ffa0216e934f681
Source of Spectrum HE-1999-143-7
Wiley ID 1613431