| SpectraBase Compound ID | IKD0vojEiTt |
|---|---|
| InChI | InChI=1S/C40H51ClO3/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/h11-24,35-36,42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | ZVSCLRFAGMFRKL-QISQUURKSA-N |
| Mol Weight | 615.3 g/mol |
| Molecular Formula | C40H51ClO3 |
| Exact Mass | 614.352673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XaoNW87OTB |
|---|---|
| Name | 3-CHLORO-3'-HYDROXYCANTHAXANTHIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H51ClO3 |
| InChI | InChI=1S/C40H51ClO3/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/h11-24,35-36,42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | ZVSCLRFAGMFRKL-QISQUURKSA-N |
| Literature Reference Author | J.LIU,N.L.SHELTON,R.S.H.LIU |
| Literature Reference Citation | ORG.LETTERS,4,2521(2002) |
| Literature Reference DOI | 10.1021/ol026146f |
| Molecular Weight | 615.296 g/mol |
| Sample ID | 28366 |
| Solvent | CDCl3 |