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English
2,2-Dibromocholestan-26-al
group of stereoisomers with the chemical formula C₂₇H₄₄Br₂O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
542.175890228
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₄Br₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C=O)CCCC(C)C1CCC2C3CCC4CCC(Br)(Br)CC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCC(Br)(Br)C[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H44Br2O/c1-18(16-30)6-5-7-19(2)22-10-11-23-21-9-8-20-12-15-27(28,29)17-26(20,4)24(21)13-14-25(22,23)3/h16,18-24H,5-15,17H2,1-4H3/t18?,19-,20?,21+,22-,23+,24+,25-,26+/m1/s1
0 references
InChIKey
QWYPAKIPDPFNTD-NNKFIOEFSA-N
0 references
CAS Registry Number
97370-79-1
0 references
PubChem CID
57357062
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62406569
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40723544
0 references
DSSTOX compound identifier
DTXCID40674289
0 references
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