| SpectraBase Compound ID | D3yUXt1Ed4g |
|---|---|
| InChI | InChI=1S/C49H88O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-47(50)51-42-33-35-48(6)41(37-42)29-30-43-45-32-31-44(49(45,7)36-34-46(43)48)39(5)27-28-40(9-2)38(3)4/h29,38-40,42-46H,8-28,30-37H2,1-7H3/t39-,40+,42+,43+,44-,45+,46+,48+,49-/m1/s1 |
| InChIKey | HHUUZAKALDWEGC-GWFOJGNGSA-N |
| Mol Weight | 709.2 g/mol |
| Molecular Formula | C49H88O2 |
| Exact Mass | 708.678432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FSNcvPOE2gT |
|---|---|
| Name | SITOSTEROL-3-BETA-ARACHIDATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H88O2 |
| InChI | InChI=1S/C49H88O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-47(50)51-42-33-35-48(6)41(37-42)29-30-43-45-32-31-44(49(45,7)36-34-46(43)48)39(5)27-28-40(9-2)38(3)4/h29,38-40,42-46H,8-28,30-37H2,1-7H3/t39-,40+,42+,43+,44-,45+,46+,48+,49-/m1/s1 |
| InChIKey | HHUUZAKALDWEGC-GWFOJGNGSA-N |
| Literature Reference Author | V.ANJANEYULU,J.S.BABU,J.D.CONNOLLY |
| Literature Reference Citation | PHYTOCHEM.,35,1301(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94842-8 |
| Molecular Weight | 709.237 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24538 |