| SpectraBase Compound ID | 2CMCdFLy1GP |
|---|---|
| InChI | InChI=1S/C27H38O6/c1-17(2)27(14-7-9-19(27)4)15-13-18(3)8-6-10-21-11-12-23(32-25(21)30)22-16-24(29)33-26(22)31-20(5)28/h8,11,16,19,23,25-26,30H,1,6-7,9-10,12-15H2,2-5H3/b18-8+/t19-,23?,25?,26?,27+/m1/s1 |
| InChIKey | XHZRTBPTEWIFSK-IAOLXJLESA-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 | 1dWmiWPKB4N |
|---|---|
| Name | 25-ACETOXYLUFFARIELLIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O6 |
| InChI | InChI=1S/C27H38O6/c1-17(2)27(14-7-9-19(27)4)15-13-18(3)8-6-10-21-11-12-23(32-25(21)30)22-16-24(29)33-26(22)31-20(5)28/h8,11,16,19,23,25-26,30H,1,6-7,9-10,12-15H2,2-5H3/b18-8+/t19-,23?,25?,26?,27+/m1/s1 |
| InChIKey | XHZRTBPTEWIFSK-IAOLXJLESA-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 | 30174 |
| Solvent | CDCl3 |