| SpectraBase Compound ID | Ec4bBGlMLS |
|---|---|
| InChI | InChI=1S/C34H44N2O11/c1-6-36-16-31(46-30(40)20-9-7-8-10-23(20)35-47-19(4)39)12-11-27(43-5)33-25(31)14-22(28(33)36)32(41)15-24(44-17(2)37)21-13-26(33)34(32,42)29(21)45-18(3)38/h7-10,21-22,24-29,35,41-42H,6,11-16H2,1-5H3/t21-,22+,24+,25-,26+,27+,28?,29+,31-,32+,33+,34+/m1/s1 |
| InChIKey | AQOZCCIHBGJNLT-QANHZRRISA-N |
| Mol Weight | 656.7 g/mol |
| Molecular Formula | C34H44N2O11 |
| Exact Mass | 656.29451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jZOplgxksA |
|---|---|
| Name | 14,16-DI-O-DESMETHYL-14,16-DIACETYLLAPPACONITINE |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H44N2O11 |
| InChI | InChI=1S/C34H44N2O11/c1-6-36-16-31(46-30(40)20-9-7-8-10-23(20)35-47-19(4)39)12-11-27(43-5)33-25(31)14-22(28(33)36)32(41)15-24(44-17(2)37)21-13-26(33)34(32,42)29(21)45-18(3)38/h7-10,21-22,24-29,35,41-42H,6,11-16H2,1-5H3/t21-,22+,24+,25-,26+,27+,28?,29+,31-,32+,33+,34+/m1/s1 |
| InChIKey | AQOZCCIHBGJNLT-QANHZRRISA-N |
| Literature Reference Author | B.S.JOSHI,S.K.SRIVASTAVA,A.D.BARBER,H.K.DESAI,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,60,439(1997) |
| Literature Reference DOI | 10.1021/np9606862 |
| Molecular Weight | 656.730 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMK60 |