| SpectraBase Compound ID | 2pPMUoOwkW |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-11(2)8-15(21)25-14-7-6-12(3)19(5)10-20(17(22)16(14)19)13(4)9-24-18(20)23/h11-12,14,16-17,22H,4,6-10H2,1-3,5H3/t12-,14-,16+,17+,19+,20+/m0/s1 |
| InChIKey | YRGARSMVKDFOAY-XCJOJWPZSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9fmKpmLufty |
|---|---|
| Name | Bakkenolide-V |
| Alternate Name(s) | 3-Methylbutanoic acid [(2R,3R,3aS,4S,7S,7aR)-3-hydroxy-7,7a-dimethyl-4'-methylene-2'-oxo-4-spiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]yl] ester [(2R,3R,3aS,4S,7S,7aR)-3-hydroxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] 3-methylbutanoate [(2R,3R,3aS,4S,7S,7aR)-3-hydroxy-7,7a-dimethyl-4'-methylene-2'-oxo-spiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-tetrahydrofuran]-4-yl] 3-methylbutanoate [(2R,3R,3aS,4S,7S,7aR)-7,7a-dimethyl-4'-methylidene-3-oxidanyl-2'-oxidanylidene-spiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] 3-methylbutanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-11(2)8-15(21)25-14-7-6-12(3)19(5)10-20(17(22)16(14)19)13(4)9-24-18(20)23/h11-12,14,16-17,22H,4,6-10H2,1-3,5H3/t12-,14-,16+,17+,19+,20+/m0/s1 |
| InChIKey | YRGARSMVKDFOAY-XCJOJWPZSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | O[C@@]1([C@]2([C@@](OC(=O)CC(C)C)(CC[C@@]([C@]2(C[C@]11C(OCC1=C)=O)C)(C)[H])[H])[H])[H] |
| SPLASH | splash10-06ri-0910000000-7be0dbe011199dd470b0 |
| Source of Spectrum | E2-47-381-25 |
| Wiley ID | 1554839 |