| SpectraBase Compound ID | CWDrOd8p3B9 |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-22,24,32H,10-18H2,1-8H3/t20?,21?,22?,24-,27-,28+,29-,30-/m1/s1 |
| InChIKey | ISOQXZUJPIAFIY-SQPYASTJSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bd6R89VSZat |
|---|---|
| Name | 22.beta.-Hydroxy-12-oleanen-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-22,24,32H,10-18H2,1-8H3/t20?,21?,22?,24-,27-,28+,29-,30-/m1/s1 |
| InChIKey | ISOQXZUJPIAFIY-SQPYASTJSA-N |
| Molecular Weight | 440.712 g/mol |
| SMILES | O[C@]1([C@]2(C(C=3[C@]([C@]4(C([C@]5(CCC(C(C5CC4)(C)C)=O)C)CC3)C)(CC2)C)CC(C)(C)C1)C)[H] |
| SPLASH | splash10-00lr-0190000000-93f41000abdc9407203c |
| Source of Spectrum | G4-71-1831-2 |
| Wiley ID | 1695135 |