| SpectraBase Compound ID | FH6tMPM2GZZ |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-9-6-12-13(2,7-10(9)16)14(3)5-4-11(17)15(14,18)8-19-12/h6,10,12,16,18H,4-5,7-8H2,1-3H3/t10-,12+,13+,14-,15+/m1/s1 |
| InChIKey | PYOQCUKYALILJL-NZNQWUEYSA-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 | APAnfAoG5tH |
|---|---|
| Name | 8.beta.-Hydroxysambucoin |
| Alternate Name(s) | (3aS,5aS,8R,9aR,9bR)-3a,8-dihydroxy-7,9a,9b-trimethyl-1,2,4,5a,8,9-hexahydrocyclopenta[c][1]benzopyran-3-one (3aS,5aS,8R,9aR,9bR)-7,9a,9b-trimethyl-3a,8-bis(oxidanyl)-1,2,4,5a,8,9-hexahydrocyclopenta[c]chromen-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-9-6-12-13(2,7-10(9)16)14(3)5-4-11(17)15(14,18)8-19-12/h6,10,12,16,18H,4-5,7-8H2,1-3H3/t10-,12+,13+,14-,15+/m1/s1 |
| InChIKey | PYOQCUKYALILJL-NZNQWUEYSA-N |
| Molecular Weight | 266.337 g/mol |
| SMILES | O[C@]1(C(=C[C@]2([C@@]([C@@]3([C@](CO2)(C(CC3)=O)O)C)(C1)C)[H])C)[H] |
| SPLASH | splash10-052f-9800000000-ee15e5133ddb4e60487e |
| Source of Spectrum | X2-50-902-1 |
| Wiley ID | 1602412 |