| SpectraBase Compound ID | 8Ua44WaqJCT |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-8-20(5)11-9-15-21(6)12-10-17(24)19(3,4)16(21)13-18(25-14(2)23)22(15,7)26-20/h8,15-16,18H,1,9-13H2,2-7H3/t15?,16?,18-,20+,21+,22-/m1/s1 |
| InChIKey | JQAFLCOSQUUVJH-JSIKIEJASA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IaxXmZMEg40 |
|---|---|
| Name | 7.alpha.-Acetoxy-3-oxo-ent-13-epi-manoyl oxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-8-20(5)11-9-15-21(6)12-10-17(24)19(3,4)16(21)13-18(25-14(2)23)22(15,7)26-20/h8,15-16,18H,1,9-13H2,2-7H3/t15?,16?,18-,20+,21+,22-/m1/s1 |
| InChIKey | JQAFLCOSQUUVJH-JSIKIEJASA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | [C@@]12(C([C@@]3(CCC(C(C3C[C@]2(OC(=O)C)[H])(C)C)=O)C)CC[C@@](O1)(C=C)C)C |