| SpectraBase Compound ID | 4w7msTHfbrl |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-8-4-5-10(16)11-12(17)15(7-14(8,11)3)9(2)6-19-13(15)18/h8,10-12,16-17H,2,4-7H2,1,3H3/t8-,10-,11+,12+,14+,15+/m0/s1 |
| InChIKey | VNFLYLCSLQITAF-OBTPXQBUSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C15H22O4 |
| Exact Mass | 266.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KmrOKWy40W7 |
|---|---|
| Name | Bakkenolide-III |
| Alternate Name(s) | (2R,3R,3aR,4S,7S,7aR)-3,4-dihydroxy-7,7a-dimethyl-4'-methylene-2'-spiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]one (2R,3R,3aR,4S,7S,7aR)-3,4-dihydroxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one (2R,3R,3aR,4S,7S,7aR)-7,7a-dimethyl-4'-methylidene-3,4-bis(oxidanyl)spiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-8-4-5-10(16)11-12(17)15(7-14(8,11)3)9(2)6-19-13(15)18/h8,10-12,16-17H,2,4-7H2,1,3H3/t8-,10-,11+,12+,14+,15+/m0/s1 |
| InChIKey | VNFLYLCSLQITAF-OBTPXQBUSA-N |
| Molecular Weight | 266.337 g/mol |
| SMILES | O[C@]1(CC[C@@]([C@]2(C[C@@]3([C@@]([C@@]12[H])(O)[H])C(OCC3=C)=O)C)(C)[H])[H] |
| SPLASH | splash10-0bti-0920000000-36614274050952bfb230 |
| Source of Spectrum | E2-47-381-32 |
| Wiley ID | 1554833 |