| SpectraBase Compound ID | 1zKsQgOpvVm |
|---|---|
| InChI | InChI=1S/C30H46O2/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/h9,20-22H,10-18H2,1-8H3/t20-,21-,22+,27+,28-,29+,30+/m0/s1 |
| InChIKey | JWUFNNUZGFEZCU-FLYBRSFCSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C30H46O2 |
| Exact Mass | 438.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQfEXhoGLtQ |
|---|---|
| Name | Olean-12-ene-3,22-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.349780719 u |
| Formula | C30H46O2 |
| InChI | InChI=1S/C30H46O2/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/h9,20-22H,10-18H2,1-8H3/t20-,21-,22+,27+,28-,29+,30+/m0/s1 |
| InChIKey | JWUFNNUZGFEZCU-FLYBRSFCSA-N |
| Molecular Weight | 438.696 g/mol |
| SMILES | [C@]12(C([C@@]3(CC(C)(C)CC([C@@]3(CC2)C)=O)[H])=CC[C@@]2([C@]3(CCC(C([C@@]3(CC[C@@]12C)[H])(C)C)=O)C)[H])C |