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(Q82955528)
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English
1-O-Hexadecanoyl-4-O-hexopyranosylhexitol
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
582.3615271679998
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₅₄O₁₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H54O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(33)38-18-20(32)23(34)27(19(31)16-29)40-28-26(37)25(36)24(35)21(17-30)39-28/h19-21,23-32,34-37H,2-18H2,1H3/t19-,20+,21-,23-,24+,25+,26-,27-,28?/m1/s1
0 references
InChIKey
QDHVAJSLNZWMPL-AYABUQRPSA-N
0 references
CAS Registry Number
56453-22-6
0 references
PubChem CID
91866
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
52246090
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10971873
0 references
DSSTOX compound identifier
DTXCID601399365
0 references
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