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English
2-tert-Butylcholestan-3-one
group of stereoisomers with the chemical formula C₃₁H₅₄O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
442.417466348
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₅₄O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)C(C(C)(C)C)CC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)C(C(C)(C)C)C[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C31H54O/c1-20(2)10-9-11-21(3)24-14-15-25-23-13-12-22-18-28(32)27(29(4,5)6)19-31(22,8)26(23)16-17-30(24,25)7/h20-27H,9-19H2,1-8H3/t21-,22?,23+,24-,25+,26+,27?,30-,31+/m1/s1
0 references
InChIKey
NOPSUWNQUASERN-FXLHRXESSA-N
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CAS Registry Number
55162-57-7
0 references
PubChem CID
22212763
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62923475
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90623429
0 references
DSSTOX compound identifier
DTXCID30574183
0 references
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