| SpectraBase Compound ID | Klkh2ak9MPF |
|---|---|
| InChI | InChI=1S/C39H67NO10/c1-13-14-17-24(4)35(50-39(40)45)28(8)36(47-31(11)42)26(6)21-22(2)20-25(5)34(46-30(10)41)23(3)18-15-16-19-33-27(7)37(48-32(12)43)29(9)38(44)49-33/h20,23-29,33-37H,13-19,21H2,1-12H3,(H2,40,45)/b22-20+/t23-,24+,25+,26+,27-,28-,29+,33-,34+,35+,36-,37-/m0/s1 |
| InChIKey | TWEBPZQZJSKODI-WMMKVWOTSA-N |
| Mol Weight | 710.0 g/mol |
| Molecular Formula | C39H67NO10 |
| Exact Mass | 709.476497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Kl9ZMPxumN |
|---|---|
| Name | 7-DEOXY-8,21,23-HEXAHYDRODISCODERMOLIDE-3,11,17-TRIACETATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H67NO10 |
| InChI | InChI=1S/C39H67NO10/c1-13-14-17-24(4)35(50-39(40)45)28(8)36(47-31(11)42)26(6)21-22(2)20-25(5)34(46-30(10)41)23(3)18-15-16-19-33-27(7)37(48-32(12)43)29(9)38(44)49-33/h20,23-29,33-37H,13-19,21H2,1-12H3,(H2,40,45)/b22-20+/t23-,24+,25+,26+,27-,28-,29+,33-,34+,35+,36-,37-/m0/s1 |
| InChIKey | TWEBPZQZJSKODI-WMMKVWOTSA-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 | 709.962 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16458 |