| SpectraBase Compound ID | EA8Dk9rgkPZ |
|---|---|
| InChI | InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-20,23-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m0/s1 |
| InChIKey | ZEXQVPRPMQVOFT-DYAPHPQASA-N |
| Mol Weight | 600.9 g/mol |
| Molecular Formula | C40H56O4 |
| Exact Mass | 600.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3UYjyGxQ9Vb |
|---|---|
| Name | 6-EPIHETEROXANTHIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O4 |
| InChI | InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-20,23-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m0/s1 |
| InChIKey | ZEXQVPRPMQVOFT-DYAPHPQASA-N |
| Literature Reference Author | T.MAOKA,Y.FUJIWARA,K.HASHIMOTO,N.AKIMOTO |
| Literature Reference Citation | J.NAT.PROD.,68,1341(2005) |
| Literature Reference DOI | 10.1021/np058053n |
| Molecular Weight | 600.882 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ13383 |