| SpectraBase Compound ID | 4zAS690UvNR |
|---|---|
| InChI | InChI=1S/C22H33NO6S/c1-16(2)13-19(24)14-17(3)8-11-29-21-6-5-18(15-20(21)25)7-10-23-22(26)9-12-30(4,27)28/h5-6,9,12-13,15,17,19,24-25H,7-8,10-11,14H2,1-4H3,(H,23,26)/b12-9+ |
| InChIKey | OSFIHEGKEJPHBH-FMIVXFBMSA-N |
| Mol Weight | 439.6 g/mol |
| Molecular Formula | C22H33NO6S |
| Exact Mass | 439.202859 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F1TI0k2NE9B |
|---|---|
| Name | Dihydroisosakerol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H33NO6S |
| InChI | InChI=1S/C22H33NO6S/c1-16(2)13-19(24)14-17(3)8-11-29-21-6-5-18(15-20(21)25)7-10-23-22(26)9-12-30(4,27)28/h5-6,9,12-13,15,17,19,24-25H,7-8,10-11,14H2,1-4H3,(H,23,26)/b12-9+ |
| InChIKey | OSFIHEGKEJPHBH-FMIVXFBMSA-N |
| Molecular Weight | 439.567 g/mol |
| SMILES | N(C(\C=C\S(=O)(=O)C)=O)CCc1ccc(OCCC(CC(C=C(C)C)O)C)c(c1)O |
| SPLASH | splash10-000i-9400000000-47df67f80858baeca095 |
| Source of Spectrum | U-1995-1793-4 |
| Synonyms | (2E)-N-(2-{3-hydroxy-4-[(5-hydroxy-3,7-dimethyl-6-octenyl)oxy]phenyl}ethyl)-3-(methylsulfonyl)-2-propenamide N-[4'-(3'',7''-Dimethyl-5''-hydroxy-6''-octenyloxy)-3'-hydroxyphenethyl]-3-(methylsulfonyl)propenamide |
| Wiley ID | 767597 |