| SpectraBase Compound ID | BSt04LdZRJc |
|---|---|
| InChI | InChI=1S/C40H53N3O5/c1-4-5-9-23-35(26-37(44)43(27-32-17-10-6-11-18-32)48-29-34-21-14-8-15-22-34)39(45)41-38(31(2)3)40(46)42-25-16-24-36(42)30-47-28-33-19-12-7-13-20-33/h6-8,10-15,17-22,31,35-36,38H,4-5,9,16,23-30H2,1-3H3,(H,41,45)/t35-,36+,38+/m1/s1 |
| InChIKey | SGZGVDTWWKQVDF-PIFNACGGSA-N |
| Mol Weight | 655.9 g/mol |
| Molecular Formula | C40H53N3O5 |
| Exact Mass | 655.398522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOeGjjgVout |
|---|---|
| Name | (S,S,R)-(-)-TRIBENZYLACTINONIN;MAJOR-ROTAMER |
| Compound Number | 35 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H53N3O5 |
| InChI | InChI=1S/C40H53N3O5/c1-4-5-9-23-35(26-37(44)43(27-32-17-10-6-11-18-32)48-29-34-21-14-8-15-22-34)39(45)41-38(31(2)3)40(46)42-25-16-24-36(42)30-47-28-33-19-12-7-13-20-33/h6-8,10-15,17-22,31,35-36,38H,4-5,9,16,23-30H2,1-3H3,(H,41,45)/t35-,36+,38+/m1/s1 |
| InChIKey | SGZGVDTWWKQVDF-PIFNACGGSA-N |
| Literature Reference Author | G.BASHIARDES,G.J.BODWELL,S.G.DAVIES |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,459(1993) |
| Literature Reference DOI | 10.1039/p19930000459 |
| Molecular Weight | 655.878 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS16459 |