| SpectraBase Compound ID | 22iPHw1jhiA |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-14(23)26-13-22(4)18-7-9-20(2)16-12-25-11-15(16)5-6-17(20)21(18,3)10-8-19(22)24/h11-12,17-18H,5-10,13H2,1-4H3/t17-,18+,20-,21+,22+/m0/s1 |
| InChIKey | ZOMCMFCGQVIKDG-ZQONDGBOSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IISu3lfau88 |
|---|---|
| Name | 19-Acetoxy-Spongia-13(16),14-dien-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c1-14(23)26-13-22(4)18-7-9-20(2)16-12-25-11-15(16)5-6-17(20)21(18,3)10-8-19(22)24/h11-12,17-18H,5-10,13H2,1-4H3/t17-,18+,20-,21+,22+/m0/s1 |
| InChIKey | ZOMCMFCGQVIKDG-ZQONDGBOSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | [C@@]12(c3c(coc3)CC[C@@]1([C@@]1([C@@]([C@](C(=O)CC1)(COC(=O)C)C)([H])CC2)C)[H])C |
| SPLASH | splash10-0a59-0059000000-b14fafcde117955cecbf |
| Source of Spectrum | G4-70-1112-1 |
| Synonyms | Acetic acid [(3bR,5aR,6S,9aR,9bR)-3b,6,9a-trimethyl-7-oxo-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e]isobenzofuran-6-yl]methyl ester [(3bR,5aR,6S,9aR,9bR)-3b,6,9a-trimethyl-7-oxo-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-6-yl]methyl acetate [(3bR,5aR,6S,9aR,9bR)-3b,6,9a-trimethyl-7-oxo-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e]isobenzofuran-6-yl]methyl acetate [(3bR,5aR,6S,9aR,9bR)-3b,6,9a-trimethyl-7-oxidanylidene-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-6-yl]methyl ethanoate |
| Wiley ID | 1694748 |