| SpectraBase Compound ID | 7o45q4ks3A9 |
|---|---|
| InChI | InChI=1S/C40H56O/c1-31(19-13-21-33(3)24-26-36-35(5)23-15-28-38(36,6)7)17-11-12-18-32(2)20-14-22-34(4)25-27-37(41)40(10)30-16-29-39(40,8)9/h11-14,17-22,24-27H,15-16,23,28-30H2,1-10H3/b12-11+,19-13+,20-14+,26-24+,27-25+,31-17+,32-18+,33-21+,34-22+/t40-/m0/s1 |
| InChIKey | YWYZMPABROOXTM-BKGWKKLQSA-N |
| Mol Weight | 552.9 g/mol |
| Molecular Formula | C40H56O |
| Exact Mass | 552.433116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6lnzHi3tiiz |
|---|---|
| Name | SAPOTEXANTHIN;BETA,KAPPA-CAROTENE-6'-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O |
| InChI | InChI=1S/C40H56O/c1-31(19-13-21-33(3)24-26-36-35(5)23-15-28-38(36,6)7)17-11-12-18-32(2)20-14-22-34(4)25-27-37(41)40(10)30-16-29-39(40,8)9/h11-14,17-22,24-27H,15-16,23,28-30H2,1-10H3/b12-11+,19-13+,20-14+,26-24+,27-25+,31-17+,32-18+,33-21+,34-22+/t40-/m0/s1 |
| InChIKey | YWYZMPABROOXTM-BKGWKKLQSA-N |
| Literature Reference Author | E.MURILLO,R.MCLEAN,G.BRITTON,A.AGOCS,V.NAGY,J.DELI |
| Literature Reference Citation | J.NAT.PROD.,74,283(2011) |
| Literature Reference DOI | 10.1021/np1006982 |
| Molecular Weight | 552.884 g/mol |
| Sample ID | 37564 |
| Solvent | CDCl3 |