| SpectraBase Compound ID | BNDGX4cbIOH |
|---|---|
| InChI | InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17-,19-,20-/m1/s1 |
| InChIKey | AXKQOCLPWRXCRI-HNBVOPMISA-N |
| Mol Weight | 314.43 g/mol |
| Molecular Formula | C20H26O3 |
| Exact Mass | 314.188195 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EDCRZGuFJvE |
|---|---|
| Name | Aquilarabietic acid H |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O3 |
| InChI | InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17-,19-,20-/m1/s1 |
| InChIKey | AXKQOCLPWRXCRI-HNBVOPMISA-N |
| Instrument Name | AutoSpec Ultima-TOF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np3006925 |
| Molecular Weight | 314.425 g/mol |
| Optical Rotation | [a]D20 = -1.2 (c = 0.5, MeOH) |
| Reported Formula | C20H26O3 |
| SMILES | OC([C@]1([C@@]2(C[C@](c3cc(ccc3[C@]2(CCC1)C)C(C)=C)(O)[H])[H])C)=O |
| SPLASH | splash10-000j-0690000000-d6cfcc35b5b6a434c0c1 |
| Source of Spectrum | G4-76-SM36-8 |
| Wiley ID | 1854866 |