MQZIGYBFDRPAKN-QISQUURKSA-N
Compound with spectra: 6 NMR, and 1 MS (GC)
| SpectraBase Compound ID | 1BRC5cnlouP |
|---|---|
| InChI | InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | MQZIGYBFDRPAKN-QISQUURKSA-N |
| Mol Weight | 596.9 g/mol |
| Molecular Formula | C40H52O4 |
| Exact Mass | 596.38656 g/mol |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | EP-2336-0-0 |
- 3,3'-DIHYDROXY-BETA,BETA'-CAROTENE-4,4'-DIONE;ASTAXANTHIN
- 4,4'-Dioxo-3,3'-dihydroxy.beta.-carotene
- .beta.,.beta.-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S)-
- Astaxanthin, (3S,3'S)-
- Ovoester
- Astaxanthin
- Astaxanthin, all-trans-, (3S,3'S)-
- Astaxanthine
- 3s,3'S-astaxanthin
- 6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone
- 6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
- 6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
- 2,4,4-trimethyl-6-oxidanyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-3-oxidanylidene-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
- Astaxanthin, all-trans-
- 3,3'-Dihydroxy-,-carotene-4,4'-dione
- .beta.-Carotene-4,4'-dione, 3,3'-dihydroxy-, all-trans-
- CCRIS 7118
- EINECS 207-451-4
- NSC 635689
3,3'-DIIODOCANTHAXANTHIN
3,3'-DIBROMOCANTHAXANTHIN
3,3'-DICHLOROCANTHAXANTHIN
(1S,2R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(3R,4S)-2,6,6-trimethyl-3,4-bis(oxidanyl)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-diol
(1S,2S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(3S,4S)-2,6,6-trimethyl-3,4-bis(oxidanyl)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-diol
(3S,4R,3'S,4'R)-CRUSTAXANTHIN;(3S,4R,3'S,4'R)-BETA,BETA-CAROTIN-3,4,3',4'-TETROL
(3S,4S,3'S,4'S)-CRUSTAXANTHIN;(3S,4S,3'S,4'S)-BETA,BETA-CAROTIN-3,4,3',4'-TETROL
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis and characterization of all-E (12,12′-13C2)-, (13,13′-13C2)-, (14,14′-13C2)-, (15,15′-13C2)- and (20,20′-13C2)astaxanthin | Recueil des Travaux Chimiques des Pays-Bas | 2010 |
| A13C-NMR. Study ofcis-trans Isomeric Vitamins A, Carotenoids and Related Compounds | Helvetica Chimica Acta | 1975 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.