| SpectraBase Compound ID | B2rIEWPrwKu |
|---|---|
| InChI | InChI=1S/C22H36O4/c1-14(23)26-13-19(2)9-5-10-20(3)16(19)8-11-22-12-21(4,25)15(18(22)24)6-7-17(20)22/h15-18,24-25H,5-13H2,1-4H3/t15-,16-,17+,18?,19+,20-,21-,22+/m1/s1 |
| InChIKey | HDWJDHZOJJAFFP-IVJNTNQRSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C22H36O4 |
| Exact Mass | 364.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | InsX3RxYunR |
|---|---|
| Name | ent-19-Acetoxy-14.alpha.,16.beta.-dihydroxy-kaurane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.261359635 u |
| Formula | C22H36O4 |
| InChI | InChI=1S/C22H36O4/c1-14(23)26-13-19(2)9-5-10-20(3)16(19)8-11-22-12-21(4,25)15(18(22)24)6-7-17(20)22/h15-18,24-25H,5-13H2,1-4H3/t15-,16-,17+,18?,19+,20-,21-,22+/m1/s1 |
| InChIKey | HDWJDHZOJJAFFP-IVJNTNQRSA-N |
| Molecular Weight | 364.526 g/mol |
| SMILES | [C@]123[C@]([C@]4([C@]([C@](COC(=O)C)(CCC4)C)([H])CC1)C)(CC[C@](C2O)([C@@](C3)(O)C)[H])[H] |