| SpectraBase Compound ID | 8G6Cn1F30wE |
|---|---|
| InChI | InChI=1S/C39H59NO10/c1-13-14-15-23(3)36(50-39(40)45)29(9)37(48-32(12)43)27(7)19-22(2)18-26(6)35(47-31(11)42)24(4)16-17-33(46-30(10)41)21-34-25(5)20-28(8)38(44)49-34/h13-18,20,23-27,29,33-37H,1,19,21H2,2-12H3,(H2,40,45)/b15-14+,17-16+,22-18+/t23-,24+,25-,26-,27-,29+,33?,34+,35-,36-,37+/m1/s1 |
| InChIKey | RIQRDRUMCUNALR-JKUARSFLSA-N |
| Mol Weight | 701.9 g/mol |
| Molecular Formula | C39H59NO10 |
| Exact Mass | 701.413897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvRE7JqHJBA |
|---|---|
| Name | 3-DEOXY-DISCODERMOLID-2-EN-7,11,17-TRIACETATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H59NO10 |
| InChI | InChI=1S/C39H59NO10/c1-13-14-15-23(3)36(50-39(40)45)29(9)37(48-32(12)43)27(7)19-22(2)18-26(6)35(47-31(11)42)24(4)16-17-33(46-30(10)41)21-34-25(5)20-28(8)38(44)49-34/h13-18,20,23-27,29,33-37H,1,19,21H2,2-12H3,(H2,40,45)/b15-14+,17-16+,22-18+/t23-,24+,25-,26-,27-,29+,33?,34+,35-,36-,37+/m1/s1 |
| InChIKey | RIQRDRUMCUNALR-JKUARSFLSA-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 | 701.898 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16463 |