| SpectraBase Compound ID | G9ILOCU01A3 |
|---|---|
| InChI | InChI=1S/C74H110O3/c1-52(2)59(10)40-42-62(13)61(12)39-36-56(7)34-27-35-70-73(22,49-46-64(15)63(14)43-41-60(11)53(3)4)77-74(76-70)51-50-72(20,21)68(66(74)17)45-38-58(9)33-26-31-55(6)29-24-23-28-54(5)30-25-32-57(8)37-44-67-65(16)69(75)47-48-71(67,18)19/h23-26,28-34,37-38,44-45,59-61,64,70H,1,3,13-14,27,35-36,39-43,46-51H2,2,4-12,15-22H3/b24-23+,30-25+,31-26+,44-37+,45-38+,54-28+,55-29+,56-34+,57-32+,58-33+ |
| InChIKey | RKCBSTGPKMXWBJ-LHTNFALLSA-N |
| Mol Weight | 1047.7 g/mol |
| Molecular Formula | C74H110O3 |
| Exact Mass | 1046.845497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wNx1BORfdt |
|---|---|
| Name | BOTRYOXANTHIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H110O3 |
| InChI | InChI=1S/C74H110O3/c1-52(2)59(10)40-42-62(13)61(12)39-36-56(7)34-27-35-70-73(22,49-46-64(15)63(14)43-41-60(11)53(3)4)77-74(76-70)51-50-72(20,21)68(66(74)17)45-38-58(9)33-26-31-55(6)29-24-23-28-54(5)30-25-32-57(8)37-44-67-65(16)69(75)47-48-71(67,18)19/h23-26,28-34,37-38,44-45,59-61,64,70H,1,3,13-14,27,35-36,39-43,46-51H2,2,4-12,15-22H3/b24-23+,30-25+,31-26+,44-37+,45-38+,54-28+,55-29+,56-34+,57-32+,58-33+ |
| InChIKey | RKCBSTGPKMXWBJ-LHTNFALLSA-N |
| Literature Reference Author | S.OKADA,I.TONEGAWA,H.MATSUDA,M.MURAKAMI,K.YAMAGUCHI |
| Literature Reference Citation | PHYTOCHEM.,47,1111(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00548-7 |
| Molecular Weight | 1047.686 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWMS492 |