| SpectraBase Compound ID | kwZI8oZ6xE |
|---|---|
| InChI | InChI=1S/C41H50N6O10/c1-22-36(49)43-23(2)39(52)45(4)30(19-25-9-14-28(55-7)15-10-25)38(51)44-24(3)40(53)47(6)34-35(48)27-12-16-29(17-13-27)57-33-21-26(11-18-32(33)56-8)20-31(37(50)42-22)46(5)41(34)54/h9-18,21-24,30-31,34-35,48H,19-20H2,1-8H3,(H,42,50)(H,43,49)(H,44,51) |
| InChIKey | BVLKHUDGMCRYQG-UHFFFAOYSA-N |
| Mol Weight | 786.9 g/mol |
| Molecular Formula | C41H50N6O10 |
| Exact Mass | 786.358842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8r6YdNYSex5 |
|---|---|
| Name | 6-O-Methyl-bouvardin |
| CAS Registry Number | 70840-66-3 |
| Comments | reassigned |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C41H50N6O10 |
| InChI | InChI=1S/C41H50N6O10/c1-22-36(49)43-23(2)39(52)45(4)30(19-25-9-14-28(55-7)15-10-25)38(51)44-24(3)40(53)47(6)34-35(48)27-12-16-29(17-13-27)57-33-21-26(11-18-32(33)56-8)20-31(37(50)42-22)46(5)41(34)54/h9-18,21-24,30-31,34-35,48H,19-20H2,1-8H3,(H,42,50)(H,43,49)(H,44,51) |
| InChIKey | BVLKHUDGMCRYQG-UHFFFAOYSA-N |
| Instrument Name | Bruker WM-250 |
| Literature Reference | R.B. Bates, J.R. Cole, J.J. Hoffmann, J. Am. Chem. Soc. 105, 1343 (1983). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |