| SpectraBase Compound ID | 9wvo9STmA9E |
|---|---|
| InChI | InChI=1S/C29H36O11/c1-13(30)39-27-12-24(2)19(17(32)23(34)36-5)26(27,4)15-6-8-25(3)22(14-7-9-37-11-14)38-16(31)10-28(25)29(15,35)20(27)18(40-28)21(24)33/h7,9,11,15,17-22,32-33,35H,6,8,10,12H2,1-5H3/t15?,17-,18-,19+,20?,21-,22+,24+,25+,26-,27?,28-,29+/m1/s1 |
| InChIKey | NVAICDOAKPCBRQ-YNVDPGPVSA-N |
| Mol Weight | 560.6 g/mol |
| Molecular Formula | C29H36O11 |
| Exact Mass | 560.225762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3jhXh2EMZ5 |
|---|---|
| Name | 1-O-ACETYL-KHAYANOLIDE-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O11 |
| InChI | InChI=1S/C29H36O11/c1-13(30)39-27-12-24(2)19(17(32)23(34)36-5)26(27,4)15-6-8-25(3)22(14-7-9-37-11-14)38-16(31)10-28(25)29(15,35)20(27)18(40-28)21(24)33/h7,9,11,15,17-22,32-33,35H,6,8,10,12H2,1-5H3/t15?,17-,18-,19+,20?,21-,22+,24+,25+,26-,27?,28-,29+/m1/s1 |
| InChIKey | NVAICDOAKPCBRQ-YNVDPGPVSA-N |
| Literature Reference Author | H.ZHANG,J.TAN,D.V.DERVEER,X.WANG,M.J.WARGIVICH,F.CHEN |
| Literature Reference Citation | PHYTOCHEM.,70,294(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.12.004 |
| Molecular Weight | 560.598 g/mol |
| Sample ID | 64537 |
| Solvent | CDCl3:CD3OD |