| SpectraBase Compound ID | 8K7kq056LWs |
|---|---|
| InChI | InChI=1S/C41H58O3/c1-33(21-14-23-35(3)25-16-27-37(5)29-18-32-40(7,8)43)19-12-13-20-34(2)22-15-24-36(4)26-17-28-38(6)30-31-39(42)41(9,10)44-11/h12-17,19-28,30-31,43H,18,29,32H2,1-11H3/b13-12+,21-14+,22-15+,25-16+,26-17+,31-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+ |
| InChIKey | JGOKKZLOXUBOQC-CCPVQMKISA-N |
| Mol Weight | 598.9 g/mol |
| Molecular Formula | C41H58O3 |
| Exact Mass | 598.438596 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7GXNQQ5ojBk |
|---|---|
| Name | 2-Ketorhodovibrin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H58O3 |
| InChI | InChI=1S/C41H58O3/c1-33(21-14-23-35(3)25-16-27-37(5)29-18-32-40(7,8)43)19-12-13-20-34(2)22-15-24-36(4)26-17-28-38(6)30-31-39(42)41(9,10)44-11/h12-17,19-28,30-31,43H,18,29,32H2,1-11H3/b13-12+,21-14+,22-15+,25-16+,26-17+,31-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+ |
| InChIKey | JGOKKZLOXUBOQC-CCPVQMKISA-N |
| Molecular Weight | 598.912 g/mol |
| SMILES | OC(CCC\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=C\(\C=C\C(C(OC)(C)C)=O)C)C)C)C)C)C)(C)C |
| SPLASH | splash10-0006-0003920000-803d33da5c2a78c07ce1 |
| Source of Spectrum | CD-488-0-0 |
| Synonyms | (3E)-3,4-Didehydro-1,1',2,2'-tetrahydro-psi,psi-carotene (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-31-hydroxy-2-methoxy-2,6,10,14,19,23,27,31-octamethyl-3-dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26-dodecaenone (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-31-hydroxy-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26-dodecaen-3-one (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyl-31-oxidanyl-dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26-dodecaen-3-one |
| Wiley ID | 1410025 |