| SpectraBase Compound ID | GloUrGEHVbB |
|---|---|
| InChI | InChI=1S/C14H22O6S2/c1-5-16-9(15)7-6-8-10(18-13(21)22-4)11-12(17-8)20-14(2,3)19-11/h8,10-12H,5-7H2,1-4H3/t8-,10+,11-,12-/m1/s1 |
| InChIKey | RBAIZEAUEZLRHP-SASUGWTJSA-N |
| Mol Weight | 350.44 g/mol |
| Molecular Formula | C14H22O6S2 |
| Exact Mass | 350.085781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6EJZadpH9Bi |
|---|---|
| Name | Ethyl 5,6-Dideoxy-1,2-O-isopropylidene-3-O-(S-methylthiocarbonate)-.alpha.,D-xylo-heptofuranuronate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H22O6S2 |
| InChI | InChI=1S/C14H22O6S2/c1-5-16-9(15)7-6-8-10(18-13(21)22-4)11-12(17-8)20-14(2,3)19-11/h8,10-12H,5-7H2,1-4H3/t8-,10+,11-,12-/m1/s1 |
| InChIKey | RBAIZEAUEZLRHP-SASUGWTJSA-N |
| Molecular Weight | 350.444 g/mol |
| SMILES | [C@@]12([C@@](OC(O2)(C)C)(O[C@@]([C@@]1(OC(=S)SC)[H])(CCC(=O)OCC)[H])[H])[H] |
| SPLASH | splash10-0f8c-2900000000-c395506cf492af246d9c |
| Source of Spectrum | F-49-6686-18 |
| Synonyms | 3-((3aR,5R,6S,6aR)-2,2-Dimethyl-6-methylsulfanylthiocarboxyoxy-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-propionic acid ethyl ester Ethyl 5,6-dideoxy-1,2-O-(1-methylethylidene)-3-O-[(methylsulfanyl)carbothioyl]-.beta.-D-ribo-heptofuranuronate 3-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-[(methylthio)-sulfanylidenemethoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propanoic acid ethyl ester Ethyl 3-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-methylsulfanylcarbothioyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propanoate |
| Wiley ID | 1341658 |