| SpectraBase Compound ID | 710SZZ7IjRG |
|---|---|
| InChI | InChI=1S/C23H36O5/c1-14-8-7-9-18-22(14,4)12-10-15(2)23(18,5)13-11-17-19(25)21(27-16(3)24)28-20(17)26-6/h11,15,18-21,25H,1,7-10,12-13H2,2-6H3/b17-11-/t15-,18+,19?,20?,21?,22+,23+/m1/s1 |
| InChIKey | WPMGAVSSBXRREL-RVCSMBTISA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C23H36O5 |
| Exact Mass | 392.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72rk7uh5Cpm |
|---|---|
| Name | 15,16-Epoxy-15-acetoxy-16-methoxy-(ent)-cleroda-4(18),12E-dien-14-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.256274254 u |
| Formula | C23H36O5 |
| InChI | InChI=1S/C23H36O5/c1-14-8-7-9-18-22(14,4)12-10-15(2)23(18,5)13-11-17-19(25)21(27-16(3)24)28-20(17)26-6/h11,15,18-21,25H,1,7-10,12-13H2,2-6H3/b17-11-/t15-,18+,19?,20?,21?,22+,23+/m1/s1 |
| InChIKey | WPMGAVSSBXRREL-RVCSMBTISA-N |
| Molecular Weight | 392.536 g/mol |
| SMILES | C1(\C(C(C(O1)OC(=O)C)O)=C/C[C@@]1([C@@]2([C@@](C(=C)CCC2)(C)CC[C@]1(C)[H])[H])C)OC |