| SpectraBase Compound ID | CeV1ocDjKkR |
|---|---|
| InChI | InChI=1S/C26H36O9/c1-15(13-31-18(4)27)10-11-23-22-14-32-24(34-20(6)29)12-21(22)25(26(30)35-23)16(2)8-7-9-17(3)33-19(5)28/h10,14,17,21,23-25H,2,7-9,11-13H2,1,3-6H3/b15-10-/t17?,21-,23+,24-,25+/m1/s1 |
| InChIKey | MHJDVIISCVSRNK-HIRNCVQRSA-N |
| Mol Weight | 492.6 g/mol |
| Molecular Formula | C26H36O9 |
| Exact Mass | 492.235933 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3028tcXGZ9Q |
|---|---|
| Name | Alcyonolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H36O9 |
| InChI | InChI=1S/C26H36O9/c1-15(13-31-18(4)27)10-11-23-22-14-32-24(34-20(6)29)12-21(22)25(26(30)35-23)16(2)8-7-9-17(3)33-19(5)28/h10,14,17,21,23-25H,2,7-9,11-13H2,1,3-6H3/b15-10-/t17?,21-,23+,24-,25+/m1/s1 |
| InChIKey | MHJDVIISCVSRNK-HIRNCVQRSA-N |
| Molecular Weight | 492.565 g/mol |
| SMILES | C=12[C@]([C@@](C(=C)CCCC(OC(=O)C)C)([H])C(O[C@]2(C\C=C/(COC(=O)C)C)[H])=O)(C[C@](OC1)(OC(=O)C)[H])[H] |
| SPLASH | splash10-00kb-0190000000-f19aec95f67d5f8786cd |
| Source of Spectrum | G4-61-837-5 |
| Synonyms | Acetic acid [(Z)-4-[(1S,4R,4aS,6R)-6-acetyloxy-4-(6-acetyloxyhept-1-en-2-yl)-3-oxo-4,4a,5,6-tetrahydro-1H-pyrano[3,4-c]pyran-1-yl]-2-methylbut-2-enyl] ester [(Z)-4-[(1S,4R,4aS,6R)-6-acetyloxy-4-(6-acetyloxyhept-1-en-2-yl)-3-oxo-4,4a,5,6-tetrahydro-1H-pyrano[3,4-c]pyran-1-yl]-2-methylbut-2-enyl] acetate [(Z)-4-[(1S,4R,4aS,6R)-6-acetoxy-4-(5-acetoxy-1-methylene-hexyl)-3-oxo-4,4a,5,6-tetrahydro-1H-pyrano[3,4-c]pyran-1-yl]-2-methyl-but-2-enyl] acetate [(Z)-4-[(1S,4R,4aS,6R)-6-acetyloxy-4-(6-acetyloxyhept-1-en-2-yl)-3-oxidanylidene-4,4a,5,6-tetrahydro-1H-pyrano[3,4-c]pyran-1-yl]-2-methyl-but-2-enyl] ethanoate |
| Wiley ID | 1607295 |