| SpectraBase Compound ID | DzYKmuYxBlz |
|---|---|
| InChI | InChI=1S/C46H66O3/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/h1-2,13,15,18-19,30,34,36-37,40-41,45-46,48-49H,5-12,14,16-17,20-29,31-33,35H2/b18-13-,19-15-,34-30+,40-36+,41-37+/t45?,46-/m0/s1 |
| InChIKey | IPPQJIBNOKPDEI-HPCRAZIASA-N |
| Mol Weight | 667.0 g/mol |
| Molecular Formula | C46H66O3 |
| Exact Mass | 666.501196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J0vJLFiW86P |
|---|---|
| Name | PETROFORMYNE-10 |
| Compound Number | 14A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H66O3 |
| InChI | InChI=1S/C46H66O3/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/h1-2,13,15,18-19,30,34,36-37,40-41,45-46,48-49H,5-12,14,16-17,20-29,31-33,35H2/b18-13-,19-15-,34-30+,40-36+,41-37+/t45?,46-/m0/s1 |
| InChIKey | IPPQJIBNOKPDEI-HPCRAZIASA-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 | 667.028 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP4352 |