| SpectraBase Compound ID | lpS9fl47KE |
|---|---|
| InChI | InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h3,10,14-15,18-23,25,31,33-34H,4-9,11-13H2,1-2H3/t15-,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1 |
| InChIKey | CKBPSMDNPQRZIK-MCNYKCMOSA-N |
| Mol Weight | 530.6 g/mol |
| Molecular Formula | C29H38O9 |
| Exact Mass | 530.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5ZFgjgr9na |
|---|---|
| Name | 5,6-DEHYDROCALOTROPIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O9 |
| InChI | InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h3,10,14-15,18-23,25,31,33-34H,4-9,11-13H2,1-2H3/t15-,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1 |
| InChIKey | CKBPSMDNPQRZIK-MCNYKCMOSA-N |
| Literature Reference Author | R.A.MARTIN,S.P.LYNCH,F.J.SCHMITZ,E.O.PORDESIMO,S.TOTH,R.Y.HO RTON |
| Literature Reference Citation | PHYTOCHEM.,30,3935(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83439-R |
| Molecular Weight | 530.615 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU28146 |