| SpectraBase Compound ID | Ju8t8BJJ5pB |
|---|---|
| InChI | InChI=1S/C74H112O2/c1-53(2)60(10)42-44-63(13)62(12)41-38-57(7)35-27-37-70-73(22,50-48-65(15)64(14)45-43-61(11)54(3)4)76-74(75-70)52-51-72(20,21)69(67(74)17)47-40-59(9)34-26-32-56(6)30-24-23-29-55(5)31-25-33-58(8)39-46-68-66(16)36-28-49-71(68,18)19/h23-26,29-36,39-40,46-47,60-62,65,68,70H,1,3,13-14,27-28,37-38,41-45,48-52H2,2,4-12,15-22H3/b24-23+,31-25+,32-26+,46-39+,47-40+,55-29+,56-30+,57-35+,58-33+,59-34+ |
| InChIKey | YVJCUYUFVJHQIC-ZZSAXZFFSA-N |
| Mol Weight | 1033.7 g/mol |
| Molecular Formula | C74H112O2 |
| Exact Mass | 1032.866233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsTeceahB1f |
|---|---|
| Name | ALPHA-BOTRYOXANTHIN-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H112O2 |
| InChI | InChI=1S/C74H112O2/c1-53(2)60(10)42-44-63(13)62(12)41-38-57(7)35-27-37-70-73(22,50-48-65(15)64(14)45-43-61(11)54(3)4)76-74(75-70)52-51-72(20,21)69(67(74)17)47-40-59(9)34-26-32-56(6)30-24-23-29-55(5)31-25-33-58(8)39-46-68-66(16)36-28-49-71(68,18)19/h23-26,29-36,39-40,46-47,60-62,65,68,70H,1,3,13-14,27-28,37-38,41-45,48-52H2,2,4-12,15-22H3/b24-23+,31-25+,32-26+,46-39+,47-40+,55-29+,56-30+,57-35+,58-33+,59-34+ |
| InChIKey | YVJCUYUFVJHQIC-ZZSAXZFFSA-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 | 1033.702 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWMS491 |