| SpectraBase Compound ID | 3NbBU4TDi22 |
|---|---|
| InChI | InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22?,23-,24?,25-,29-,30+,31+,32-/m0/s1 |
| InChIKey | RIXNFYQZWDGQAE-WXPHEVGESA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C32H50O4 |
| Exact Mass | 498.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1tXTqSbmgy |
|---|---|
| Name | 3-(Acetoxy)-Oleanolic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O4 |
| InChI | InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22?,23-,24?,25-,29-,30+,31+,32-/m0/s1 |
| InChIKey | RIXNFYQZWDGQAE-WXPHEVGESA-N |
| Molecular Weight | 498.748 g/mol |
| SMILES | OC([C@@]12CC[C@@]3(C(C1CC(C)(C)CC2)=CCC1[C@]2(CC[C@@](C([C@@]2(CC[C@@]31C)[H])(C)C)(OC(=O)C)[H])C)C)=O |
| SPLASH | splash10-0f6w-0290000000-38959b8d7156db2eac45 |
| Source of Spectrum | G4-62-1383-5 |
| Synonyms | (3beta)-3-(acetyloxy)olean-12-en-28-oic acid |
| Wiley ID | 1608094 |