| SpectraBase Compound ID | AqvR3IGYYub |
|---|---|
| InChI | InChI=1S/C27H36O6/c1-17-10-11-21-26(4,33-21)15-20(29)23-19(25(2,3)31)12-13-27(23,16-28)22(14-17)32-24(30)18-8-6-5-7-9-18/h5-9,12,14,20-23,28-29,31H,10-11,13,15-16H2,1-4H3/b17-14+/t20-,21-,22+,23-,26+,27+/m1/s1 |
| InChIKey | JSCVDCHYTMNNBT-VUMHDFDTSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C27H36O6 |
| Exact Mass | 456.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42OTBRZH9k |
|---|---|
| Name | JSCVDCHYTMNNBT-VUMHDFDTSA-N |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O6 |
| InChI | InChI=1S/C27H36O6/c1-17-10-11-21-26(4,33-21)15-20(29)23-19(25(2,3)31)12-13-27(23,16-28)22(14-17)32-24(30)18-8-6-5-7-9-18/h5-9,12,14,20-23,28-29,31H,10-11,13,15-16H2,1-4H3/b17-14+/t20-,21-,22+,23-,26+,27+/m1/s1 |
| InChIKey | JSCVDCHYTMNNBT-VUMHDFDTSA-N |
| Literature Reference Author | T.MORIKAWA,F.XU,Y.KASHIMA,H.MATSUDA,K.NINOMIYA,M.YOSHIKAWA |
| Literature Reference Citation | ORG.LETTERS,6,869(2004) |
| Literature Reference DOI | 10.1021/ol036239c |
| Molecular Weight | 456.579 g/mol |
| Sample ID | 50192 |
| Solvent | CDCl3 |