| SpectraBase Spectrum ID |
3g3AY2IzYU6 |
| Name |
(1R,2R,3S,4R,5R)-3,4-Di-O-benzyl-5-benzyloxymethylcyclohexane-1,2,3,4-tetraol |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C28H32O5 - which differs from the formula reported for the mass spectrum (C34H40O5) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H40O5 |
| InChI |
InChI=1S/C28H32O5/c29-25-16-24(20-31-17-21-10-4-1-5-11-21)27(32-18-22-12-6-2-7-13-22)28(26(25)30)33-19-23-14-8-3-9-15-23/h1-15,24-30H,16-20H2/t24-,25-,26-,27-,28+/m1/s1 |
| InChIKey |
PQJIDAJMAHEJJO-FXGKLIOSSA-N |
| Molecular Weight |
448.559 g/mol |
| SMILES |
O[C@@]1(C[C@@]([C@]([C@]([C@@]1(O)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H])[H] |
| SPLASH |
splash10-0006-9000000000-b046e542772a1de83f1f |
| Source of Spectrum |
KC-0-2021-13 |
| Wiley ID |
781675 |
