| SpectraBase Compound ID | A6rSAYEjpry |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)32)9-8-19-20-16-26(3,18-31)17-24(33)27(20,4)14-15-29(19,30)6/h8,20-22,24,31,33H,9-18H2,1-7H3/t20-,21?,22?,24-,26+,27-,28+,29-,30-/m1/s1 |
| InChIKey | GHQRBYBOHXKBQA-TVCNDINYSA-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 | B11IrWu7fJw |
|---|---|
| Name | 22.beta.,29-Dihydroxy-12-oleanen-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)32)9-8-19-20-16-26(3,18-31)17-24(33)27(20,4)14-15-29(19,30)6/h8,20-22,24,31,33H,9-18H2,1-7H3/t20-,21?,22?,24-,26+,27-,28+,29-,30-/m1/s1 |
| InChIKey | GHQRBYBOHXKBQA-TVCNDINYSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | OC[C@]1(C[C@]2([C@]([C@@](C1)(O)[H])(CC[C@@]1(C2=CCC2[C@]1(CCC1C(C(CC[C@]21C)=O)(C)C)C)C)C)[H])C |
| SPLASH | splash10-1000-5690200000-cadfec2b51ac47f9938b |
| Source of Spectrum | G4-71-1832-5 |
| Wiley ID | 1695132 |