| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FwwBtyvuarm |
|---|---|
| Name | .beta.,.beta.-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S)- |
| Alternate Name(s) | .beta.-Carotene-4,4'-dione, 3,3'-dihydroxy-, all-trans- 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 3,3'-Dihydroxy-,-carotene-4,4'-dione 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-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 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 Astaxanthin Astaxanthin, (3S,3'S)- Astaxanthin, all-trans- Astaxanthin, all-trans-, (3S,3'S)- Astaxanthine Ovoester CCRIS 7118 EINECS 207-451-4 NSC 635689 |
| CAS Registry Number | 472-61-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H52O4 |
| 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 |
| Molecular Weight | 596.852 g/mol |
| SMILES | OC1C(C(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C2=C(C(C(CC2(C)C)O)=O)C)C)C)C)C)C(C1)(C)C)C)=O |
| SPLASH | splash10-052g-3930000000-1d0057a3e9860a0e270a |
| Source of Spectrum | EP-2336-0-0 |
| Wiley ID | 1409861 |