| SpectraBase Compound ID | 8ApQ9O6Mu0h |
|---|---|
| InChI | InChI=1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-40-43-46(48)44-41-38-35-32-29-26-23-22-24-27-30-33-36-39-42-45(47)4-2/h1-2,21,23,25-26,34,37,39,42,45-48H,5-20,22,24,27-33,35-36,38H2/b25-21-,26-23-,37-34+,42-39+ |
| InChIKey | DXFHRHATAZATAU-RPNXRKLESA-N |
| Mol Weight | 655.1 g/mol |
| Molecular Formula | C46H70O2 |
| Exact Mass | 654.537581 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Q5o0iRYt3U |
|---|---|
| Name | ISOPETROFORMYNE-3 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H70O2 |
| InChI | InChI=1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-40-43-46(48)44-41-38-35-32-29-26-23-22-24-27-30-33-36-39-42-45(47)4-2/h1-2,21,23,25-26,34,37,39,42,45-48H,5-20,22,24,27-33,35-36,38H2/b25-21-,26-23-,37-34+,42-39+ |
| InChIKey | DXFHRHATAZATAU-RPNXRKLESA-N |
| Literature Reference Author | Y.GUO,M.GAVAGNIN,E.TRIVELLONE,G.CIMINO |
| Literature Reference Citation | J.NAT.PROD.,58,712(1995) |
| Literature Reference DOI | 10.1021/np50119a009 |
| Molecular Weight | 655.061 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP4343 |