| SpectraBase Compound ID | 9IwO7oxzJOf |
|---|---|
| InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36-,37-,38+,39-,43+,44-,45+,46+/m0/s1 |
| InChIKey | VFSRKCNYYCXRGI-JWDOTDQPSA-N |
| Mol Weight | 665.1 g/mol |
| Molecular Formula | C46H80O2 |
| Exact Mass | 664.615832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iruZSJgqpq |
|---|---|
| Name | BETA-AMYRIN-PALMITATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O2 |
| InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36-,37-,38+,39-,43+,44-,45+,46+/m0/s1 |
| InChIKey | VFSRKCNYYCXRGI-JWDOTDQPSA-N |
| Literature Reference Author | M.L.BARREIROS,J.M.DAVID,P.A.D.P.PEREIRA,M.L.S.GUEDES,J.P.DAV ID |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,13,669(2002) |
| Literature Reference DOI | 10.1590/s0103-50532002000500021 |
| Molecular Weight | 665.140 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6872 |