| SpectraBase Compound ID | CeeaCmT8Cg0 |
|---|---|
| InChI | InChI=1S/C35H57NO9/c1-11-12-13-21(4)33(45-35(36)42)25(8)31(39)23(6)17-19(2)16-22(5)30(38)20(3)14-15-28(43-27(10)37)18-29-24(7)32(40)26(9)34(41)44-29/h11-16,20-26,28-33,38-40H,1,17-18H2,2-10H3,(H2,36,42)/b13-12-,15-14-,19-16-/t20-,21-,22-,23-,24-,25-,26+,28+,29-,30-,31+,32-,33-/m0/s1 |
| InChIKey | XDSYTCKUOLOFAP-WSJTUFDFSA-N |
| Mol Weight | 635.8 g/mol |
| Molecular Formula | C35H57NO9 |
| Exact Mass | 635.403332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rYmOrgsj21 |
|---|---|
| Name | DISCODERMOLIDE-7-ACETATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H57NO9 |
| InChI | InChI=1S/C35H57NO9/c1-11-12-13-21(4)33(45-35(36)42)25(8)31(39)23(6)17-19(2)16-22(5)30(38)20(3)14-15-28(43-27(10)37)18-29-24(7)32(40)26(9)34(41)44-29/h11-16,20-26,28-33,38-40H,1,17-18H2,2-10H3,(H2,36,42)/b13-12-,15-14-,19-16-/t20-,21-,22-,23-,24-,25-,26+,28+,29-,30-,31+,32-,33-/m0/s1 |
| InChIKey | XDSYTCKUOLOFAP-WSJTUFDFSA-N |
| Literature Reference Author | S.P.GUNASEKERA,R.E.LONGLEY,R.A.ISBRUCKER |
| Literature Reference Citation | J.NAT.PROD.,64,171(2001) |
| Literature Reference DOI | 10.1021/np000423e |
| Molecular Weight | 635.839 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU3814 |