| SpectraBase Compound ID | D3qxFCk8x6 |
|---|---|
| InChI | InChI=1S/C16H26O5/c1-2-3-4-5-6-10(17)14-9-13(20)15-11(18)7-8-12(19)16(15)21-14/h10,12-14,17,19-20H,2-9H2,1H3/t10-,12+,13+,14-/m0/s1 |
| InChIKey | YSFPWLQJKYZZEG-ASEORRQLSA-N |
| Mol Weight | 298.38 g/mol |
| Molecular Formula | C16H26O5 |
| Exact Mass | 298.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EdYOImodFg5 |
|---|---|
| Name | (2S,4R,8R)-4,8-Dihydroxy-2-(1'(S)-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-[1]-benzopyran-5-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H26O5 |
| InChI | InChI=1S/C16H26O5/c1-2-3-4-5-6-10(17)14-9-13(20)15-11(18)7-8-12(19)16(15)21-14/h10,12-14,17,19-20H,2-9H2,1H3/t10-,12+,13+,14-/m0/s1 |
| InChIKey | YSFPWLQJKYZZEG-ASEORRQLSA-N |
| Molecular Weight | 298.379 g/mol |
| SMILES | O[C@]1(C2=C([C@@](CCC2=O)(O)[H])O[C@@](C1)([C@@](O)(CCCCCC)[H])[H])[H] |
| SPLASH | splash10-014i-0930000000-10bf903d1ead6ad26228 |
| Source of Spectrum | SO-0-124-18 |
| Synonyms | (2S,4R,8S)-4,8-bis(oxidanyl)-2-[(1S)-1-oxidanylheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one (2S,4R,8R)-4,8-dihydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-5H-chromen-5-one (2S,4R,8S)-4,8-dihydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one 4,8-Dihydroxy-2-(1'-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-[1]-benzopyran-5-one (2S,4R,8S)-4,8-dihydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one (2S,4R,8R)-4,8-dihydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one (2S,4R,8R)-4,8-bis(oxidanyl)-2-[(1S)-1-oxidanylheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one |
| Wiley ID | 864044 |