| SpectraBase Compound ID | 2RDOkzvU3ZP |
|---|---|
| InChI | InChI=1S/C27H32O9/c1-13-19-20(22(29)32-5)36-27(13)26(31,23(30)24(19,2)3)11-15-16-10-18(28)34-21(14-7-9-33-12-14)25(16,4)8-6-17(15)35-27/h7,9-10,12-13,15,17,19-21,31H,6,8,11H2,1-5H3/t13-,15+,17-,19-,20+,21-,25+,26-,27-/m0/s1 |
| InChIKey | FURLYOVLBBZMGR-RTRHYCDYSA-N |
| Mol Weight | 500.5 g/mol |
| Molecular Formula | C27H32O9 |
| Exact Mass | 500.204633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2TYSYmm38rW |
|---|---|
| Name | KOKOSANOLIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O9 |
| InChI | InChI=1S/C27H32O9/c1-13-19-20(22(29)32-5)36-27(13)26(31,23(30)24(19,2)3)11-15-16-10-18(28)34-21(14-7-9-33-12-14)25(16,4)8-6-17(15)35-27/h7,9-10,12-13,15,17,19-21,31H,6,8,11H2,1-5H3/t13-,15+,17-,19-,20+,21-,25+,26-,27-/m0/s1 |
| InChIKey | FURLYOVLBBZMGR-RTRHYCDYSA-N |
| Literature Reference Author | T.MAYANTI,R.TJOKRONEGORO,U.SUPRATMAN,M.R.MUKHTAR,K.AWANG,A.H .A.HADI |
| Literature Reference Citation | MOLECULES,16,2785(2011) |
| Literature Reference DOI | 10.3390/molecules16042785 |
| Molecular Weight | 500.546 g/mol |
| Sample ID | 28 |
| Solvent | CDCl3 |