| SpectraBase Compound ID | 8qzLndGlJ36 |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h9-11,13-14H,4-7H2,1-3H3/t9?,10-,11?,13?,14?/m0/s1 |
| InChIKey | QAOTVNIYGMUCEE-RTCWLQFCSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATWo1XqxQR |
|---|---|
| Name | 11-.beta.,13-Dihydro-desoxo-achalensolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h9-11,13-14H,4-7H2,1-3H3/t9?,10-,11?,13?,14?/m0/s1 |
| InChIKey | QAOTVNIYGMUCEE-RTCWLQFCSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C1=2C(C(CC3OC([C@](C3C1)(C)[H])=O)C)CCC2C |