| SpectraBase Compound ID | 2P1kYDtq5Zh |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-9-5-4-6-11-12(16)15(8-14(9,11)3)10(2)7-18-13(15)17/h9,11-12,16H,2,4-8H2,1,3H3/t9-,11+,12+,14+,15+/m0/s1 |
| InChIKey | QPPWVRIXJAAPPD-LTDFUNFTSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1pG0C7W7ETU |
|---|---|
| Name | Bakkenolide-S |
| Alternate Name(s) | (2R,3R,3aS,7S,7aR)-3-hydroxy-7,7a-dimethyl-4'-methylene-2'-spiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]one (2R,3R,3aS,7S,7aR)-3-hydroxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one (2R,3R,3aS,7S,7aR)-7,7a-dimethyl-4'-methylidene-3-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 | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-9-5-4-6-11-12(16)15(8-14(9,11)3)10(2)7-18-13(15)17/h9,11-12,16H,2,4-8H2,1,3H3/t9-,11+,12+,14+,15+/m0/s1 |
| InChIKey | QPPWVRIXJAAPPD-LTDFUNFTSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | O[C@]1([C@]2(C[C@@]3([C@](CCC[C@]13[H])(C)[H])C)C(OCC2=C)=O)[H] |
| SPLASH | splash10-03di-0920000000-9327082e91765f7be3d9 |
| Source of Spectrum | E2-47-381-21 |
| Wiley ID | 1554740 |