| SpectraBase Compound ID | ArsTkE3yrB6 |
|---|---|
| InChI | InChI=1S/C35H55NO8/c1-11-12-13-21(3)33(44-35(36)41)27(9)31(39)24(6)16-20(2)17-25(7)32(42-28(10)37)22(4)14-15-29(38)19-30-23(5)18-26(8)34(40)43-30/h11-15,17-18,21-25,27,29-33,38-39H,1,16,19H2,2-10H3,(H2,36,41)/b13-12+,15-14+,20-17+/t21-,22+,23-,24-,25-,27-,29-,30+,31+,32-,33-/m1/s1 |
| InChIKey | SKWCMTMCSQISLC-JXORMSJWSA-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 | L1R2TShDqLg |
|---|---|
| Name | 3-DEOXY-DISCODERMOLID-2-EN-11-ACETATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H55NO8 |
| InChI | InChI=1S/C35H55NO8/c1-11-12-13-21(3)33(44-35(36)41)27(9)31(39)24(6)16-20(2)17-25(7)32(42-28(10)37)22(4)14-15-29(38)19-30-23(5)18-26(8)34(40)43-30/h11-15,17-18,21-25,27,29-33,38-39H,1,16,19H2,2-10H3,(H2,36,41)/b13-12+,15-14+,20-17+/t21-,22+,23-,24-,25-,27-,29-,30+,31+,32-,33-/m1/s1 |
| InChIKey | SKWCMTMCSQISLC-JXORMSJWSA-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 | UWSI16460 |