| SpectraBase Compound ID | 5MNZxsFWuMV |
|---|---|
| InChI | InChI=1S/C31H52O2/c1-21-10-9-11-22-28(21,5)13-12-23-29(6)17-16-27(4)15-14-26(2,3)20-24(27)30(29,7)18-19-31(22,23)25(32)33-8/h21-24H,9-20H2,1-8H3/t21-,22+,23+,24+,27+,28+,29+,30-,31+/m0/s1 |
| InChIKey | NQRZNQVQGOCNSN-JIKVRHGOSA-N |
| Mol Weight | 456.8 g/mol |
| Molecular Formula | C31H52O2 |
| Exact Mass | 456.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Klr3aAKG22 |
|---|---|
| Name | METHYL-FRIEDELAN-25-OATE;METHYL-D:A-FRIEDOOLEANAN-25-OATE |
| Compound Number | 180 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52O2 |
| InChI | InChI=1S/C31H52O2/c1-21-10-9-11-22-28(21,5)13-12-23-29(6)17-16-27(4)15-14-26(2,3)20-24(27)30(29,7)18-19-31(22,23)25(32)33-8/h21-24H,9-20H2,1-8H3/t21-,22+,23+,24+,27+,28+,29+,30-,31+/m0/s1 |
| InChIKey | NQRZNQVQGOCNSN-JIKVRHGOSA-N |
| Literature Reference Author | S.B.MAHATO,A.P.KUNDU |
| Literature Reference Citation | PHYTOCHEM.,37,1517(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89569-2 |
| Molecular Weight | 456.753 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS5280 |