| SpectraBase Compound ID | D493lJrkUyI |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-18-7-6-16-19(2,8-14(22)17(23)20(16,3)11-21)15(18)5-4-12-9-24-10-13(12)18/h9-10,14-16,21-22H,4-8,11H2,1-3H3/t14-,15?,16?,18+,19-,20-/m1/s1 |
| InChIKey | IABIEQUOUAZLEJ-CTKRNMLISA-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 | 9ahV8r0bgKY |
|---|---|
| Name | 3.alpha.,19-Dihydroxy-spongia-13(16),14-dien-3-one |
| Alternate Name(s) | (3bR,6S,8R,9aR)-8-hydroxy-6-(hydroxymethyl)-3b,6,9a-trimethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one (3bR,6S,8R,9aR)-8-hydroxy-6-(hydroxymethyl)-3b,6,9a-trimethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e]isobenzofuran-7-one (3bR,6S,8R,9aR)-6-(hydroxymethyl)-3b,6,9a-trimethyl-8-oxidanyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-18-7-6-16-19(2,8-14(22)17(23)20(16,3)11-21)15(18)5-4-12-9-24-10-13(12)18/h9-10,14-16,21-22H,4-8,11H2,1-3H3/t14-,15?,16?,18+,19-,20-/m1/s1 |
| InChIKey | IABIEQUOUAZLEJ-CTKRNMLISA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | OC[C@]1(C([C@@](C[C@]2(C1CC[C@@]1(C2CCc2cocc12)C)C)(O)[H])=O)C |
| SPLASH | splash10-000f-9254000000-5e409e53ef1d7f27b363 |
| Source of Spectrum | X2-51-297-10 |
| Wiley ID | 1602592 |