| SpectraBase Compound ID | 6YNIuQuE7jd |
|---|---|
| InChI | InChI=1S/C35H64O10/c1-3-4-5-6-7-8-9-10-11-12-13-29(39)30(40)16-14-27(37)22-28(38)23-32(42)34-19-18-33(45-34)31(41)17-15-26(36)21-25-20-24(2)44-35(25)43/h20,24,26-34,36-42H,3-19,21-23H2,1-2H3/t24?,26?,27-,28+,29-,30+,31-,32-,33-,34-/m0/s1 |
| InChIKey | LHVHDMHDABWGLD-MXZFCTKESA-N |
| Mol Weight | 644.9 g/mol |
| Molecular Formula | C35H64O10 |
| Exact Mass | 644.449948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zglLYYGlGh |
|---|---|
| Name | CORIAHEPTOCIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H64O10 |
| InChI | InChI=1S/C35H64O10/c1-3-4-5-6-7-8-9-10-11-12-13-29(39)30(40)16-14-27(37)22-28(38)23-32(42)34-19-18-33(45-34)31(41)17-15-26(36)21-25-20-24(2)44-35(25)43/h20,24,26-34,36-42H,3-19,21-23H2,1-2H3/t24?,26?,27-,28+,29-,30+,31-,32-,33-,34-/m0/s1 |
| InChIKey | LHVHDMHDABWGLD-MXZFCTKESA-N |
| Literature Reference Author | E.L.M.DASILVA,F.ROBLOT,O.LAPREVOTE,L.SERANI,A.CAVE |
| Literature Reference Citation | J.NAT.PROD.,60,162(1997) |
| Literature Reference DOI | 10.1021/np9606660 |
| Molecular Weight | 644.887 g/mol |
| Solvent | CDCl3:MEOH=95:5 |
| Source File Reference | UWGS94 |