| SpectraBase Compound ID | HHoAW8GMEhJ |
|---|---|
| InChI | InChI=1S/C33H45NO10/c1-7-34-15-30(16-39-2)21(35)13-22(42-5)33-18-14-31(37)10-11-32(38,24(27(33)34)25(43-6)26(30)33)23(18)28(31)44-29(36)17-8-9-19(40-3)20(12-17)41-4/h8-12,18,21-28,35,37-38H,7,13-16H2,1-6H3/t18-,21-,22+,23-,24+,25+,26-,27?,28-,30+,31-,32-,33+/m1/s1 |
| InChIKey | NJYZKZQUSDVDQW-MVMWBYOGSA-N |
| Mol Weight | 615.7 g/mol |
| Molecular Formula | C33H45NO10 |
| Exact Mass | 615.304347 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQYzONeGXdS |
|---|---|
| Name | 16-DEMETHOXY-15,16-DEHYDROVERATROYLPSEUDACONINE;BALFOURINE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H45NO10 |
| InChI | InChI=1S/C33H45NO10/c1-7-34-15-30(16-39-2)21(35)13-22(42-5)33-18-14-31(37)10-11-32(38,24(27(33)34)25(43-6)26(30)33)23(18)28(31)44-29(36)17-8-9-19(40-3)20(12-17)41-4/h8-12,18,21-28,35,37-38H,7,13-16H2,1-6H3/t18-,21-,22+,23-,24+,25+,26-,27?,28-,30+,31-,32-,33+/m1/s1 |
| InChIKey | NJYZKZQUSDVDQW-MVMWBYOGSA-N |
| Literature Reference Author | K.S.KHETWAL,B.S.JOSHI,H.K.DESAI,S.W.PELLETIER |
| Literature Reference Citation | HETEROCYCLES,34,441(1992) |
| Literature Reference DOI | 10.3987/COM-91-5949 |
| Molecular Weight | 615.721 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE3247 |