| SpectraBase Compound ID | C9vMUO8xYZ |
|---|---|
| InChI | InChI=1S/C21H24O7/c1-9(2)11-7-15-12(20(24)26-5)8-16(27-15)17(10(3)4)19-18(23)13(6-14(11)22)21(25)28-19/h6,8,11,14,17-19,22-23H,1,3,7H2,2,4-5H3/b13-6-/t11-,14?,17-,18+,19?/m0/s1 |
| InChIKey | SHUANEAZYOQKSV-IULXCLACSA-N |
| Mol Weight | 388.42 g/mol |
| Molecular Formula | C21H24O7 |
| Exact Mass | 388.152203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFtINr3BmjZ |
|---|---|
| Name | Gorgiacerodiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.152203106 u |
| Formula | C21H24O7 |
| InChI | InChI=1S/C21H24O7/c1-9(2)11-7-15-12(20(24)26-5)8-16(27-15)17(10(3)4)19-18(23)13(6-14(11)22)21(25)28-19/h6,8,11,14,17-19,22-23H,1,3,7H2,2,4-5H3/b13-6-/t11-,14?,17-,18+,19?/m0/s1 |
| InChIKey | SHUANEAZYOQKSV-IULXCLACSA-N |
| Molecular Weight | 388.416 g/mol |
| SMILES | C1(\C=2[C@](C(O1)[C@](C1=CC(C(=O)OC)=C(C[C@](C(C/2)O)(C(=C)C)[H])O1)(C(=C)C)[H])(O)[H])=O |