| SpectraBase Compound ID | 3KthTstPUoe |
|---|---|
| InChI | InChI=1S/C27H45NO10/c1-14-12-27(33-7,38-16(3)15(14)2)22(30)24(31)28-25-21-20(34-13-35-25)23(32-6)26(4,5)18(37-21)11-17-9-8-10-19(29)36-17/h15-23,25,29-30H,1,8-13H2,2-7H3,(H,28,31)/t15-,16-,17+,18?,19?,20+,21+,22-,23-,25+,27-/m1/s1 |
| InChIKey | KRUGJXMIOXHJEU-XMEURDAWSA-N |
| Mol Weight | 543.7 g/mol |
| Molecular Formula | C27H45NO10 |
| Exact Mass | 543.304347 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKOeU3ngo5w |
|---|---|
| Name | THEOPEDERIN-A,MINOR-ISOMER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45NO10 |
| InChI | InChI=1S/C27H45NO10/c1-14-12-27(33-7,38-16(3)15(14)2)22(30)24(31)28-25-21-20(34-13-35-25)23(32-6)26(4,5)18(37-21)11-17-9-8-10-19(29)36-17/h15-23,25,29-30H,1,8-13H2,2-7H3,(H,28,31)/t15-,16-,17+,18?,19?,20+,21+,22-,23-,25+,27-/m1/s1 |
| InChIKey | KRUGJXMIOXHJEU-XMEURDAWSA-N |
| Literature Reference Author | N.FUSETANI,T.SUGAWARA,S.MATSUNAGA |
| Literature Reference Citation | J.ORG.CHEM.,57,3828(1992) |
| Literature Reference DOI | 10.1021/jo00040a021 |
| Molecular Weight | 543.655 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS782 |