| SpectraBase Compound ID | 76ucrnIQqKY |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-18-7-4-8-19(2,17(23)25-3)15(18)6-10-20-9-5-14(11-16(18)20)21(24,12-20)13-22/h14-16,22,24H,4-13H2,1-3H3/t14-,15?,16?,18+,19+,20+,21-/m0/s1 |
| InChIKey | AQBWFAPCQQHZPV-JPBCEJOHSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MScrSxlFtf |
|---|---|
| Name | Methyl (16.alpha.)-16,17-dihydroxy-ent-atisan-19-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.245709571 u |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-18-7-4-8-19(2,17(23)25-3)15(18)6-10-20-9-5-14(11-16(18)20)21(24,12-20)13-22/h14-16,22,24H,4-13H2,1-3H3/t14-,15?,16?,18+,19+,20+,21-/m0/s1 |
| InChIKey | AQBWFAPCQQHZPV-JPBCEJOHSA-N |
| Molecular Weight | 350.499 g/mol |
| SMILES | [C@]12(C3[C@@]4(C[C@]([C@](C3)(CC4)[H])(O)CO)CCC2[C@@](C(=O)OC)(C)CCC1)C |