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(Q82599133)
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English
(3xi)-2,5-Anhydro-1,3-O-(1-methylethylidene)-6-O-(triphenylmethyl)-D-xylo-hexitol
group of stereoisomers with the chemical formula C₂₈H₃₀O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
446.2093240599999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₃₀O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1(C)OCC2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C(O)C2O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1(C)OC[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)C2O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H30O5/c1-27(2)30-19-24-26(33-27)25(29)23(32-24)18-31-28(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23-26,29H,18-19H2,1-2H3/t23-,24+,25+,26?/m1/s1
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InChIKey
BVJKCDWHERTVGS-VHNWMKGBSA-N
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CAS Registry Number
65758-50-1
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PubChem CID
46783502
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
23096959
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30676217
0 references
DSSTOX compound identifier
DTXCID00626966
0 references
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