| SpectraBase Compound ID | ADubALrYqzW |
|---|---|
| InChI | InChI=1S/C27H38O6/c1-18(11-13-23-19(2)9-7-15-27(23,4)5)8-6-10-21(17-28)12-14-24(30)22-16-25(31)33-26(22)32-20(3)29/h8,12,16-17,24,26,30H,6-7,9-11,13-15H2,1-5H3/b18-8+,21-12+ |
| InChIKey | PRJYGULWSUVOHQ-QUIOYNAZSA-N |
| Mol Weight | 458.6 g/mol |
| Molecular Formula | C27H38O6 |
| Exact Mass | 458.266839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmmOA98ARBk |
|---|---|
| Name | 25-ACETOXYSECO-MANOALIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O6 |
| InChI | InChI=1S/C27H38O6/c1-18(11-13-23-19(2)9-7-15-27(23,4)5)8-6-10-21(17-28)12-14-24(30)22-16-25(31)33-26(22)32-20(3)29/h8,12,16-17,24,26,30H,6-7,9-11,13-15H2,1-5H3/b18-8+,21-12+ |
| InChIKey | PRJYGULWSUVOHQ-QUIOYNAZSA-N |
| Literature Reference Author | P.ETTINGER-EPSTEIN,C.A.MOTTI,R.D.NYS,A.D.WRIGHT,C.N.BATTERSH ILL,D.M.TAPIOLAS |
| Literature Reference Citation | J.NAT.PROD.,70,648(2007) |
| Literature Reference DOI | 10.1021/np060240d |
| Molecular Weight | 458.595 g/mol |
| Sample ID | 30176 |
| Solvent | CDCl3 |