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English
6-Oxocholestan-3-yl acetate
group of stereoisomers with the chemical formula C₂₉H₄₈O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
444.36034539599996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₈O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OC1CCC2(C)C(C1)C(=O)CC1C2CCC2(C)C(C(C)CCCC(C)C)CCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)O[C@H]1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(=O)[C@H]2C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19?,21-,22?,23?,24?,25?,26+,28?,29?/m0/s1
0 references
InChIKey
QGGRDHGCNNAWIE-KUGUQYSOSA-N
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CAS Registry Number
1256-83-3
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PubChem CID
14748
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57971644
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60925184
0 references
DSSTOX compound identifier
DTXCID201354014
0 references
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