| SpectraBase Compound ID | Fnv1k4EdEab |
|---|---|
| InChI | InChI=1S/C37H57NO9/c1-12-13-14-22(3)34(47-37(38)43)28(9)35(45-30(11)40)26(7)18-21(2)17-25(6)33(44-29(10)39)23(4)15-16-31(41)20-32-24(5)19-27(8)36(42)46-32/h12-17,19,22-26,28,31-35,41H,1,18,20H2,2-11H3,(H2,38,43)/b14-13+,16-15+,21-17+/t22-,23+,24-,25-,26-,28+,31-,32+,33-,34-,35+/m1/s1 |
| InChIKey | YXKCIKNQKCXYDL-CWYSRSHESA-N |
| Mol Weight | 659.9 g/mol |
| Molecular Formula | C37H57NO9 |
| Exact Mass | 659.403332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmIQbciO9Bm |
|---|---|
| Name | 3-DEOXY-DISCODERMOLID-2-EN-11,17-DIACETATE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H57NO9 |
| InChI | InChI=1S/C37H57NO9/c1-12-13-14-22(3)34(47-37(38)43)28(9)35(45-30(11)40)26(7)18-21(2)17-25(6)33(44-29(10)39)23(4)15-16-31(41)20-32-24(5)19-27(8)36(42)46-32/h12-17,19,22-26,28,31-35,41H,1,18,20H2,2-11H3,(H2,38,43)/b14-13+,16-15+,21-17+/t22-,23+,24-,25-,26-,28+,31-,32+,33-,34-,35+/m1/s1 |
| InChIKey | YXKCIKNQKCXYDL-CWYSRSHESA-N |
| Literature Reference Author | S.P.GUNASEKERA,R.E.LONGLEY,R.A.ISBRUCKER |
| Literature Reference Citation | J.NAT.PROD.,65,1830(2002) |
| Literature Reference DOI | 10.1021/np0203234 |
| Molecular Weight | 659.861 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16462 |