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English
Cholestane-3,6-dione
group of stereoisomers with the chemical formula C₂₇H₄₄O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
400.334130648
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₄O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CCCC(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(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]3CC(=O)C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-18,20-24H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,24?,26-,27-/m1/s1
0 references
InChIKey
LNGLEOIUQBVRRY-JYQHCDCXSA-N
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CAS Registry Number
13492-22-3
0 references
PubChem CID
3082038
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
27051867
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP007251
0 references
DSSTox substance ID
DTXSID50928821
0 references
DSSTOX compound identifier
DTXCID801357585
0 references
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