| SpectraBase Compound ID | 2ihpiEEPKM4 |
|---|---|
| InChI | InChI=1S/C28H30O7S/c29-36(30)34-25-16-24(20-31-17-21-10-4-1-5-11-21)26(32-18-22-12-6-2-7-13-22)28(27(25)35-36)33-19-23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t24-,25-,26-,27-,28+/m1/s1 |
| InChIKey | HSQJIMZXVAYZGE-FXGKLIOSSA-N |
| Mol Weight | 510.6 g/mol |
| Molecular Formula | C28H30O7S |
| Exact Mass | 510.171224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BLsS90KIAl7 |
|---|---|
| Name | (1R,2S,3S,4R,5R)-3,4-Di-O-benzyl-5-benzyloxymethyl-1,2-O,O-sulfonylcyclohexane-1,2,3,4-tetraol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H30O7S |
| InChI | InChI=1S/C28H30O7S/c29-36(30)34-25-16-24(20-31-17-21-10-4-1-5-11-21)26(32-18-22-12-6-2-7-13-22)28(27(25)35-36)33-19-23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t24-,25-,26-,27-,28+/m1/s1 |
| InChIKey | HSQJIMZXVAYZGE-FXGKLIOSSA-N |
| Molecular Weight | 510.601 g/mol |
| SMILES | [C@]12(OS(O[C@@]1(C[C@@]([C@]([C@@]2(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H])[H])(=O)=O)[H] |
| SPLASH | splash10-0006-9000000000-ebb396a1dcc253f21ceb |
| Source of Spectrum | KC-0-2022-15 |
| Synonyms | (1R,2R,3S,4R,5R)-3,4-Di-O-benzyl-5-benzyloxymethyl-1,2-O,O-sulfonylcyclohexane-1,2,3,4-tetraol (3aS,4S,5R,6R,7aR)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]hexahydro-1,3,2-benzodioxathiole 2,2-dioxide (3aS,4S,5R,6R,7aR)-4,5-Bis-benzyloxy-6-benzyloxymethyl-hexahydro-benzo[1,3,2]dioxathiole 2,2-dioxide (3aS,4S,5R,6R,7aR)-4,5-dibenzyloxy-6-(benzyloxymethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide (3aS,4S,5R,6R,7aR)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide |
| Wiley ID | 781673 |