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Retinyl Palmitate
CAS: 79-81-2 | C36H60O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79-81-2
Molecular Formula:
C36H60O2
Molecular Mass:
524.87 g/mol
Names and Synonyms:
Retinyl Palmitate
Retinol, hexadecanoate
Retinol, palmitate, all-trans-
Retinol palmitate
Arovit
Dispatabs Tabs
Myvak
Myvax
Testavol S
Retinyl palmitate
all-trans-Vitamin A palmitate
Vitamin A palmitate
Axerophthol palmitate
Aquasol A
Aquapalm
all-trans-Retinol palmitate
all-trans-Retinyl palmitate
trans-Retinyl palmitate
trans-Retinol palmitate
Palmitic acid, ester with retinol
Vitazyme A
Arovit (Roche)
Lutavit A 500 Plus
Optovit A
VAP 250CK-CWD
VAP 250MS-CWD
250S/N
250S/N-B
Riken A Palmitate 1000E
Retiblan
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChI:
InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+
Key Properties
Melting Point
28-29 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 524.87 g/mol | CAS Common Chemistry |
| 524.8740000000004 g/mol | RDKit | |
| 524.45933116 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Retinyl_palmitate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+ | CAS Common Chemistry |
| InChI Key | InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N | CAS Common Chemistry |
| Melting Point | 28-29 °C | CAS Common Chemistry |
| Name | Retinol palmitate | CAS Common Chemistry |
| Retinyl palmitate | CAS Common Chemistry | |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 11.542499999999986 | RDKit |
| Molar Refractivity | 167.39699999999962 | RDKit |
