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Retinol
CAS: 68-26-8 | C20H30O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
68-26-8
Molecular Formula:
C20H30O
Molecular Weight:
286.45900000000006 g/mol
Names and Synonyms:
Retinol
Riken Dry A-S 200PT
Tagravit R 1
Tegosphere VitA
Retinyl A
Retinol 50C
NSC 122759
A-Vitan
Vi-Dom-A
A-Sol
Aquasol A Parenteral
Cylasphere
Thalasphere
all-trans-Vitamin A1
(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol
all-trans-Vitamin A
Bentavit A
A-Vi-Pel
Veroftal
Alcovit A
Agoncal
A-Mulsal
Plivit A
Vitamin A
β-Retinol
trans-Vitamin A alcohol
Vogan-Neu
Vitavel A
Nio-A-Let
Dohyfral A
Axerol
Apostavit
all-trans-Retinyl alcohol
trans-Retinol
Axerophthol
Vitamin A1, all-trans-
Vitamin A1 alcohol, all-trans-
Vitamin A alcohol, all-trans-
all-trans-Vitamin A alcohol
Vitamin A alcohol
all-trans-Retinol
Vogan
Vitpex
Vitamin A1 alcohol
Vitamin A1
Vi-Alpha
Vaflol
Testavol
Prepalin
Ophthalamin
Oleovitamin a
2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-
Myvpack
Lard Factor
Hi-A-Vita
Epiteliol
Dofsol
Disatabs Tabs
Biosterol
Avitol
Avita
Avibon
Atav
Aoral
Aquasynth
Apexol
Anatola A
Antixerophthalmic vitamin
Anti-Infective vitamin
Anatola
Alphasterol
Alphalin
Agiolan
Afaxin
Acon
Retinol, all-trans-
Retinol
Identifiers:
SMILES:
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1
InChI:
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 286.46 g/mol | Legacy Database |
| cas-boiling-point | 137-138 °C @ Press: 1 x 10-6 Torr None | Legacy Database |
| cas-canonical-smile | OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C None | Legacy Database |
| cas-inchi | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ None | Legacy Database |
| cas-inchi-key | InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N None | Legacy Database |
| cas-melting-point | 62-64 °C None | Legacy Database |
| cas-name | Retinol None | Legacy Database |
| LogP | 5.510300000000006 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 286.45900000000006 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 286.22966558 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 21 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 93.21180000000004 | RDKit |
