| SpectraBase Compound ID | 6jV3HF1Gkpi |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-13(2)21-19(26-16(5)23)10-15(4)8-6-7-14(3)9-18(24)11-17-12-20(21)27-22(17)25/h8-9,12-13,18-21,24H,6-7,10-11H2,1-5H3/b14-9+,15-8+/t18-,19-,20+,21+/m0/s1 |
| InChIKey | CBPIZTNTZKKYKN-XEBQGMHGSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DuomH7OdwKk |
|---|---|
| Name | Sarcophytonolide H |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-13(2)21-19(26-16(5)23)10-15(4)8-6-7-14(3)9-18(24)11-17-12-20(21)27-22(17)25/h8-9,12-13,18-21,24H,6-7,10-11H2,1-5H3/b14-9+,15-8+/t18-,19-,20+,21+/m0/s1 |
| InChIKey | CBPIZTNTZKKYKN-XEBQGMHGSA-N |
| Molecular Weight | 376.493 g/mol |
| SMILES | O[C@]1(\C=C\(CC\C=C\(C[C@@]([C@]([C@]2(C=C(C(O2)=O)C1)[H])(C(C)C)[H])(OC(=O)C)[H])C)C)[H] |
| SPLASH | splash10-0543-9842000000-2d06c8d5083a464d9ade |
| Source of Spectrum | G4-69-822-4 |
| Synonyms | Acetic acid [(1R,2R,3S,5E,9E,11R)-11-hydroxy-5,9-dimethyl-14-oxo-2-propan-2-yl-15-oxabicyclo[11.2.1]hexadeca-5,9,13(16)-trien-3-yl] ester [(1R,2R,3S,5E,9E,11R)-11-hydroxy-5,9-dimethyl-14-oxo-2-propan-2-yl-15-oxabicyclo[11.2.1]hexadeca-5,9,13(16)-trien-3-yl] acetate [(1R,2R,3S,5E,9E,11R)-11-hydroxy-2-isopropyl-5,9-dimethyl-14-oxo-15-oxabicyclo[11.2.1]hexadeca-5,9,13(16)-trien-3-yl] acetate [(1R,2R,3S,5E,9E,11R)-5,9-dimethyl-11-oxidanyl-14-oxidanylidene-2-propan-2-yl-15-oxabicyclo[11.2.1]hexadeca-5,9,13(16)-trien-3-yl] ethanoate |
| Wiley ID | 1694300 |