| SpectraBase Compound ID | HzkcaGdMYJB |
|---|---|
| InChI | InChI=1S/C46H78O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-37(47)48-36-26-29-44(7)33(42(36,4)5)25-28-45(8)34-24-27-43(6)31-30-41(2,3)32-35(43)46(34,9)40-38(49-40)39(44)45/h24,33,35-36,38-40H,10-23,25-32H2,1-9H3/t33-,35+,36-,38-,39+,40-,43-,44-,45-,46+/m0/s1 |
| InChIKey | CBFIJBKKXHURHF-PENCEYGOSA-N |
| Mol Weight | 679.1 g/mol |
| Molecular Formula | C46H78O3 |
| Exact Mass | 678.595096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cn2ZlxJTjjb |
|---|---|
| Name | 3-BETA-HYDROXY-11,12-EPOXY-FRIEDOOLEAN-14-ENYL-PALMITATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H78O3 |
| InChI | InChI=1S/C46H78O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-37(47)48-36-26-29-44(7)33(42(36,4)5)25-28-45(8)34-24-27-43(6)31-30-41(2,3)32-35(43)46(34,9)40-38(49-40)39(44)45/h24,33,35-36,38-40H,10-23,25-32H2,1-9H3/t33-,35+,36-,38-,39+,40-,43-,44-,45-,46+/m0/s1 |
| InChIKey | CBFIJBKKXHURHF-PENCEYGOSA-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 | 679.124 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6878 |