![3A,8-Dihydroxy-3,5A,9-trimethyl-4,5,6,7,8,9B-hexahydro-3H-benzo[G][1]benzofuran-2-one, ac](/api/spectrum/9W50KNZJlqQ/structure.png?h=300&w=458 "3A,8-Dihydroxy-3,5A,9-trimethyl-4,5,6,7,8,9B-hexahydro-3H-benzo[G][1]benzofuran-2-one, ac")
| SpectraBase Compound ID | KaadR6KefYA |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-9-12(21-11(3)18)5-6-16(4)7-8-17(20)10(2)15(19)22-14(17)13(9)16/h10,12,14,20H,5-8H2,1-4H3 |
| InChIKey | BSDNINXXOARKLP-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9W50KNZJlqQ |
|---|---|
| Name | 3A,8-Dihydroxy-3,5A,9-trimethyl-4,5,6,7,8,9B-hexahydro-3H-benzo[G][1]benzofuran-2-one, ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-9-12(21-11(3)18)5-6-16(4)7-8-17(20)10(2)15(19)22-14(17)13(9)16/h10,12,14,20H,5-8H2,1-4H3 |
| InChIKey | BSDNINXXOARKLP-UHFFFAOYSA-N |
| SMILES | CC(=O)OC1C(C)=C2C(C)(CC1)CCC1(O)C2OC(C1C)=O |