| SpectraBase Compound ID | 1BJTvE2tya9 |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23-,27-,28+,29+,30-/m0/s1 |
| InChIKey | MIJYXULNPSFWEK-YOQSOQNOSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LtpCm2WaXsM |
|---|---|
| Name | Oleanolic Acid |
| CAS Registry Number | 508-02-1 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23-,27-,28+,29+,30-/m0/s1 |
| InChIKey | MIJYXULNPSFWEK-YOQSOQNOSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | OC([C@@]12CCC(C[C@]2(C=2[C@]([C@@]3(CCC4C([C@](CC[C@@]4(C3CC2)C)(O)[H])(C)C)C)(CC1)C)[H])(C)C)=O |
| SPLASH | splash10-03di-0090000000-46a0b186c4b05c7822fe |
| Source of Spectrum | I-59-2681-8 |
| Wiley ID | 1392993 |