| SpectraBase Compound ID | 8ZyiJBktV0Z |
|---|---|
| InChI | InChI=1S/C46H64O3/c1-3-44(47)40-36-32-28-24-20-16-12-10-8-6-5-7-9-11-13-18-22-26-30-34-38-42-46(49)43-39-35-31-27-23-19-15-14-17-21-25-29-33-37-41-45(48)4-2/h1-2,13,15,18-19,30,34,36-37,40-41,46,49H,5-12,14,16-17,20-29,31-33,35H2/b18-13-,19-15-,34-30+,40-36+,41-37+ |
| InChIKey | HLBWWIFLMQTLRG-CLDNIBPTSA-N |
| Mol Weight | 665.0 g/mol |
| Molecular Formula | C46H64O3 |
| Exact Mass | 664.485546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FyzPQMFXIRn |
|---|---|
| Name | 3,44-DIOXOPETROFORMYNE-1 |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H64O3 |
| InChI | InChI=1S/C46H64O3/c1-3-44(47)40-36-32-28-24-20-16-12-10-8-6-5-7-9-11-13-18-22-26-30-34-38-42-46(49)43-39-35-31-27-23-19-15-14-17-21-25-29-33-37-41-45(48)4-2/h1-2,13,15,18-19,30,34,36-37,40-41,46,49H,5-12,14,16-17,20-29,31-33,35H2/b18-13-,19-15-,34-30+,40-36+,41-37+ |
| InChIKey | HLBWWIFLMQTLRG-CLDNIBPTSA-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 | 665.012 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP4353 |