| SpectraBase Compound ID | 9vMRMopFQRf |
|---|---|
| InChI | InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(48)49-38-25-26-44(7)37(42(38,4)5)24-27-46(9)40(44)36(47)32-34-35-33-41(2,3)28-29-43(35,6)30-31-45(34,46)8/h32,35-38,40,47H,10-31,33H2,1-9H3/t35-,36-,37-,38-,40+,43+,44-,45+,46+/m0/s1 |
| InChIKey | MZCWZFGMZBBWMX-QNJNDBNFSA-N |
| Mol Weight | 681.1 g/mol |
| Molecular Formula | C46H80O3 |
| Exact Mass | 680.610746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdjpUQfLrQV |
|---|---|
| Name | 3-BETA,11-BETA-DIHYDROXY-OLEAN-12-ENYL-PALMITATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O3 |
| InChI | InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(48)49-38-25-26-44(7)37(42(38,4)5)24-27-46(9)40(44)36(47)32-34-35-33-41(2,3)28-29-43(35,6)30-31-45(34,46)8/h32,35-38,40,47H,10-31,33H2,1-9H3/t35-,36-,37-,38-,40+,43+,44-,45+,46+/m0/s1 |
| InChIKey | MZCWZFGMZBBWMX-QNJNDBNFSA-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 | 681.139 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6875 |