| SpectraBase Compound ID | I0rJJQIY2Az |
|---|---|
| InChI | InChI=1S/C33H55NO8/c1-10-11-13-17(2)30(42-32(34)39)22(7)27(35)18(3)16-33(9,40)26-21(6)28(36)19(4)24(26)14-12-15-25-20(5)29(37)23(8)31(38)41-25/h10-14,17-30,35-37,40H,1,15-16H2,2-9H3,(H2,34,39)/b13-11+,14-12+/t17-,18-,19-,20+,21-,22-,23-,24-,25+,26?,27+,28-,29+,30-,33?/m0/s1 |
| InChIKey | PKENJDOJIIJUMX-GJJJLTRVSA-N |
| Mol Weight | 593.8 g/mol |
| Molecular Formula | C33H55NO8 |
| Exact Mass | 593.392768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8DDgK3EdqD |
|---|---|
| Name | (7E,9S,13S,14R*)-7-DEOXY-14-HYDROXY-7-EN-9-13-CYClODISCODERMOLIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H55NO8 |
| InChI | InChI=1S/C33H55NO8/c1-10-11-13-17(2)30(42-32(34)39)22(7)27(35)18(3)16-33(9,40)26-21(6)28(36)19(4)24(26)14-12-15-25-20(5)29(37)23(8)31(38)41-25/h10-14,17-30,35-37,40H,1,15-16H2,2-9H3,(H2,34,39)/b13-11+,14-12+/t17-,18-,19-,20+,21-,22-,23-,24-,25+,26?,27+,28-,29+,30-,33?/m0/s1 |
| InChIKey | PKENJDOJIIJUMX-GJJJLTRVSA-N |
| Literature Reference Author | S.P.GUNASEKERA,S.J.MICKEL,R.DAEFFLER,D.NIEDERER,A.E.WRIGHT,P .LINLEY,T.PITTS |
| Literature Reference Citation | J.NAT.PROD.,67,749(2004) |
| Literature Reference DOI | 10.1021/np030493w |
| Molecular Weight | 593.802 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWMZ5736 |