![(3bS,5aR,7R,9aR,9bR)-3b-(hydroxymethyl)-6,6,9a-trimethyl-7-oxidanyl-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-8-one](/api/spectrum/GWqPvM5Fzj9/structure.png?h=300&w=458 "(3bS,5aR,7R,9aR,9bR)-3b-(hydroxymethyl)-6,6,9a-trimethyl-7-oxidanyl-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-8-one")
| SpectraBase Compound ID | 2leoB76RFgO |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-18(2)15-6-7-20(11-21)13-10-24-9-12(13)4-5-16(20)19(15,3)8-14(22)17(18)23/h9-10,15-17,21,23H,4-8,11H2,1-3H3/t15-,16+,17-,19-,20+/m0/s1 |
| InChIKey | UWPBUVZNLJKNQJ-SQIBXOBRSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GWqPvM5Fzj9 |
|---|---|
| Name | (3bS,5aR,7R,9aR,9bR)-3b-(hydroxymethyl)-6,6,9a-trimethyl-7-oxidanyl-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-8-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-18(2)15-6-7-20(11-21)13-10-24-9-12(13)4-5-16(20)19(15,3)8-14(22)17(18)23/h9-10,15-17,21,23H,4-8,11H2,1-3H3/t15-,16+,17-,19-,20+/m0/s1 |
| InChIKey | UWPBUVZNLJKNQJ-SQIBXOBRSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | OC[C@@]12[C@@]([C@]3(CC([C@@](C([C@@]3(CC2)[H])(C)C)(O)[H])=O)C)(CCc2cocc12)[H] |
| SPLASH | splash10-0udi-0019000000-b9db93dee6e8ad09a179 |
| Source of Spectrum | F-50-9905-7 |
| Synonyms | (3bS,5aR,7R,9aR,9bR)-7-hydroxy-3b-(hydroxymethyl)-6,6,9a-trimethyl-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e]isobenzofuran-8-one (3bS,5aR,7R,9aR,9bR)-7-hydroxy-3b-(hydroxymethyl)-6,6,9a-trimethyl-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-8-one (3bS,5aR,7R,9aR,9bR)-7-hydroxy-6,6,9a-trimethyl-3b-methylol-4,5,5a,7,9,9b,10,11-octahydronaphth[2,1-e]isobenzofuran-8-one |
| Wiley ID | 1329645 |