| SpectraBase Compound ID | Bx9SFbWGykW |
|---|---|
| InChI | InChI=1S/C43H48N4O5/c1-49-30-9-5-7-28-32(30)47-24-39(20-25-21-40-13-18-51-31(40)10-15-45-16-12-43(28,34(25)47)36(40)45)23-46-17-11-42-27-6-3-4-8-29(27)44-33(42)26(35(48)50-2)22-41(37(42)46)14-19-52-38(39)41/h3-9,31,36-38,44H,10-24H2,1-2H3/t31-,36-,37-,38-,39-,40+,41-,42-,43-/m0/s1 |
| InChIKey | ZOHOIFNOQXLADO-FOTNFCPWSA-N |
| Mol Weight | 700.9 g/mol |
| Molecular Formula | C43H48N4O5 |
| Exact Mass | 700.362471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CkRrKkhLes5 |
|---|---|
| Name | ANHYDROVOBTUSIN |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H48N4O5 |
| InChI | InChI=1S/C43H48N4O5/c1-49-30-9-5-7-28-32(30)47-24-39(20-25-21-40-13-18-51-31(40)10-15-45-16-12-43(28,34(25)47)36(40)45)23-46-17-11-42-27-6-3-4-8-29(27)44-33(42)26(35(48)50-2)22-41(37(42)46)14-19-52-38(39)41/h3-9,31,36-38,44H,10-24H2,1-2H3/t31-,36-,37-,38-,39-,40+,41-,42-,43-/m0/s1 |
| InChIKey | ZOHOIFNOQXLADO-FOTNFCPWSA-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 | 700.878 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW12760 |