| SpectraBase Compound ID | KpS0C4lVIDb |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-7-4-5-10-8(2)15(17)19-14(10)13-9(3)18-12(16)6-11(7)13/h8-11,13-14H,1,4-6H2,2-3H3/t8-,9-,10-,11-,13-,14-/m0/s1 |
| InChIKey | MILMMXLPUBIAAD-CVWJPNGZSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BEeBmJCmLi2 |
|---|---|
| Name | Spicatolide H |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-7-4-5-10-8(2)15(17)19-14(10)13-9(3)18-12(16)6-11(7)13/h8-11,13-14H,1,4-6H2,2-3H3/t8-,9-,10-,11-,13-,14-/m0/s1 |
| InChIKey | MILMMXLPUBIAAD-CVWJPNGZSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | [C@@]12([C@@]3([C@](C(=C)CC[C@]2([C@](C)(C(O1)=O)[H])[H])(CC(O[C@]3(C)[H])=O)[H])[H])[H] |
| SPLASH | splash10-000i-0090000000-8ddc33885036416c0765 |
| Source of Spectrum | G4-70-1765-5 |
| Synonyms | (3S,3aS,6aR,10S,10aR,10bS)-3,10-dimethyl-6-methylene-3a,4,5,6a,7,10,10a,10b-octahydro-3H-furo[1,2]cyclohepta[4,6-b]pyran-2,8-dione (3S,3aS,6aR,10S,10aR,10bS)-3,10-dimethyl-6-methylidene-3a,4,5,6a,7,10,10a,10b-octahydro-3H-furo[1,2]cyclohepta[4,6-b]pyran-2,8-dione |
| Wiley ID | 1694789 |