| SpectraBase Compound ID | IJc3fkLD4fo |
|---|---|
| InChI | InChI=1S/C45H78O3/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-42(47)48-37-27-29-44(6)36(31-37)32-41(46)43-39-26-25-38(45(39,7)30-28-40(43)44)34(5)23-24-35(9-2)33(3)4/h32-35,37-40,43H,8-31H2,1-7H3/t34-,35-,37+,38-,39+,40+,43+,44+,45-/m1/s1 |
| InChIKey | WNKGFAMEDRRQQW-GJVCHXNPSA-N |
| Mol Weight | 667.1 g/mol |
| Molecular Formula | C45H78O3 |
| Exact Mass | 666.595096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5cumnf7BAN |
|---|---|
| Name | 7-OXOSTIGMAST-5-EN-3-BETA-YL-PALMITATE |
| Compound Number | 17B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H78O3 |
| InChI | InChI=1S/C45H78O3/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-42(47)48-37-27-29-44(6)36(31-37)32-41(46)43-39-26-25-38(45(39,7)30-28-40(43)44)34(5)23-24-35(9-2)33(3)4/h32-35,37-40,43H,8-31H2,1-7H3/t34-,35-,37+,38-,39+,40+,43+,44+,45-/m1/s1 |
| InChIKey | WNKGFAMEDRRQQW-GJVCHXNPSA-N |
| Literature Reference Author | H.ACHENBACH,D.FREY |
| Literature Reference Citation | PHYTOCHEM.,31,4263(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80456-O |
| Molecular Weight | 667.113 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN26729 |