| SpectraBase Compound ID | Br5hgmb6xuu |
|---|---|
| InChI | InChI=1S/C43H48N4O8/c1-52-29-9-5-7-27-31(29)46-23-40(21-24-20-38-13-18-54-30(38)10-16-47(51)17-12-42(27,35(38)47)43(24,46)50)36-39(14-19-55-36)22-25(33(48)53-2)32-41(11-15-45(34(39)41)37(40)49)26-6-3-4-8-28(26)44-32/h3-9,24,30,34-36,44,50H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,38+,39-,40-,41-,42+,43+,47?/m0/s1 |
| InChIKey | CUSQNXIDWSRALE-PESFUGTASA-N |
| Mol Weight | 748.9 g/mol |
| Molecular Formula | C43H48N4O8 |
| Exact Mass | 748.347215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KhEp2IdZa7a |
|---|---|
| Name | VOBTUSINE-3-LACTAM-N(B)'-OXIDE |
| CAS Registry Number | 50924-05-5 |
| Compound Number | 1G |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H48N4O8 |
| InChI | InChI=1S/C43H48N4O8/c1-52-29-9-5-7-27-31(29)46-23-40(21-24-20-38-13-18-54-30(38)10-16-47(51)17-12-42(27,35(38)47)43(24,46)50)36-39(14-19-55-36)22-25(33(48)53-2)32-41(11-15-45(34(39)41)37(40)49)26-6-3-4-8-28(26)44-32/h3-9,24,30,34-36,44,50H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,38+,39-,40-,41-,42+,43+,47?/m0/s1 |
| InChIKey | CUSQNXIDWSRALE-PESFUGTASA-N |
| Literature Reference Author | Y.ROLLAND,N.KUNESCH,J.POISSON,E.W.HAGAMAN,F.M.SCHELL,E.WENKE RT |
| Literature Reference Citation | J.ORG.CHEM.,41,3270(1976) |
| Literature Reference DOI | 10.1021/jo00882a013 |
| Molecular Weight | 748.876 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK2495 |