| SpectraBase Compound ID | EtS4Jaidfar |
|---|---|
| InChI | InChI=1S/C35H55NO8/c1-11-12-13-22(4)32(44-35(36)41)27(9)33(42-28(10)37)25(7)17-20(2)16-24(6)31(39)21(3)14-15-29(38)19-30-23(5)18-26(8)34(40)43-30/h11-16,18,21-25,27,29-33,38-39H,1,17,19H2,2-10H3,(H2,36,41)/b13-12+,15-14+,20-16+/t21-,22+,23+,24+,25+,27-,29+,30-,31+,32+,33-/m0/s1 |
| InChIKey | PSAOAZDRTLVKJQ-GQNUTZAKSA-N |
| Mol Weight | 617.8 g/mol |
| Molecular Formula | C35H55NO8 |
| Exact Mass | 617.392768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8B6FKI1hRcQ |
|---|---|
| Name | 3-DEOXY-DISCODERMOLID-2-EN-17-ACETATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H55NO8 |
| InChI | InChI=1S/C35H55NO8/c1-11-12-13-22(4)32(44-35(36)41)27(9)33(42-28(10)37)25(7)17-20(2)16-24(6)31(39)21(3)14-15-29(38)19-30-23(5)18-26(8)34(40)43-30/h11-16,18,21-25,27,29-33,38-39H,1,17,19H2,2-10H3,(H2,36,41)/b13-12+,15-14+,20-16+/t21-,22+,23+,24+,25+,27-,29+,30-,31+,32+,33-/m0/s1 |
| InChIKey | PSAOAZDRTLVKJQ-GQNUTZAKSA-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 | 617.824 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16461 |