| SpectraBase Compound ID | HRJkTigPhCB |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-2-3-4-5-6-12(17)15-9-7-11-14(20-15)10-8-13(18)16(11)19/h12-13,15,17-18H,2-10H2,1H3/t12-,13-,15-/m0/s1 |
| InChIKey | DBHKSXOQHMQCAS-YDHLFZDLSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H941ToFkvnn |
|---|---|
| Name | (2S,6S)2-(1(S)-Hydroxyheptyl)-6-hydroxyoctahydrobenzopyran-5-one isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-2-3-4-5-6-12(17)15-9-7-11-14(20-15)10-8-13(18)16(11)19/h12-13,15,17-18H,2-10H2,1H3/t12-,13-,15-/m0/s1 |
| InChIKey | DBHKSXOQHMQCAS-YDHLFZDLSA-N |
| Molecular Weight | 282.380 g/mol |
| SMILES | O[C@]([C@]1(OC2=C(C([C@](CC2)(O)[H])=O)CC1)[H])(CCCCCC)[H] |
| SPLASH | splash10-004j-0910000000-cd8fa872af38462b8461 |
| Source of Spectrum | SO-0-126-36 |
| Synonyms | (2S,6S)-6-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one (2S,6S)-6-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-5H-chromen-5-one (2S,6S)-6-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one (2S,6S)-6-oxidanyl-2-[(1S)-1-oxidanylheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one (2S,6S)2-(1(S)-Hydroxyheptyl)-6-hydroxy-2,3,4,6,7,8-hexahydro-benzopyran-5-one isomer 2-(1-Hydroxyheptyl)-6-hydroxy-2,3,4,6,7,8-hexahydro-benzopyran-5-one isomer 2-(1-Hydroxyheptyl)-6-hydroxy-2,3,4,6,7,8-hexahydro-benzopyran-5-one 2-(1-Hydroxyheptyl)-6-hydroxyoctahydrobenzopyran-5-one isomer |
| Wiley ID | 864032 |