| SpectraBase Compound ID | Fodk8NjdMlz |
|---|---|
| InChI | InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-33(40)35-25-26-36(44-35)34(41)24-18-15-14-16-20-31(38)21-19-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31?,32+,33+,34+,35+,36+/m0/s1 |
| InChIKey | AGGRKEWEGUFUDY-HJMUGZSYSA-N |
| Mol Weight | 624.9 g/mol |
| Molecular Formula | C37H68O7 |
| Exact Mass | 624.496505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KcaKQXJNhMF |
|---|---|
| Name | XYLOPIACIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H68O7 |
| InChI | InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-33(40)35-25-26-36(44-35)34(41)24-18-15-14-16-20-31(38)21-19-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31?,32+,33+,34+,35+,36+/m0/s1 |
| InChIKey | AGGRKEWEGUFUDY-HJMUGZSYSA-N |
| Literature Reference Author | T.COLMAN-SAIZARBITORIA,J.ZAMBRANO,N.R.FERRIGNI,Z.M.GU,J.H.NG ,D.L.SMITH,J.L.MCLAU |
| Literature Reference Citation | J.NAT.PROD.,57,486(1994) |
| Literature Reference DOI | 10.1021/np50106a007 |
| Molecular Weight | 624.943 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1395 |