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Molecule
Zeaxanthin
CAS: 144-68-3 · C40H56O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 144-68-3
- Molecular Formula
- C40H56O2
- Molecular Mass
- 568.89 g/mol
Identifiers
CAS Registry Number
144-68-3
SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
InChI Key
JKQXZKUSFCKOGQ-QAYBQHTQSA-N
InChI
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
Names and Synonyms
- Zeaxanthin Common Name
- β,β-Carotene-3,3′-diol, (3R,3′R)- Synonym
- β-Carotene-3,3′-diol, (3R,3′R)-all-trans- Synonym
- Zeaxanthin Synonym
- (3R,3′R)-β,β-Carotene-3,3′-diol Synonym
- Zeaxanthin, all-trans- Synonym
- Xanthophyll 3 Synonym
- Anchovyxanthin Synonym
- Zeaxanthol Synonym
- Anchovyxanthin, all-trans- Synonym
- all-trans-Anchovyxanthin Synonym
- all-trans-Zeaxanthin Synonym
- (3R,3′R)-Zeaxanthin Synonym
- ZeaGold Synonym
- E 161H Synonym
- Optisharp Synonym
- all-trans-3R,3′R-Zeaxanthin Synonym
- Luteinofta Synonym
- all-E-Zeaxanthin Synonym
- (3R,3′R)-Dihydroxy-β-carotene Synonym
- (3R,3′R)-Dihydroxy-β-carotene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 568.89 g/mol | CAS Common Chemistry |
| 568.8860000000003 g/mol | RDKit | |
| 568.886 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zeaxanthin | CAS Common Chemistry |
| Canonical SMILES | OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CC(O)CC2(C)C)C)C)C)C)C(C)(C)C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JKQXZKUSFCKOGQ-QAYBQHTQSA-N | CAS Common Chemistry |
| Melting Point | 215.5 °C | CAS Common Chemistry |
| Name | Zeaxanthin | CAS Common Chemistry |
| Heavy Atom Count | 42 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 10.547399999999989 | RDKit |
| 10.5474 | RDKit | |
| 10.85 | chempirical lib | |
| Molar Refractivity | 184.17159999999944 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.45 | RDKit |
| Exact Mass | 568.4280310319999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 568.89 g/mol. Edit any field — others recompute live.
