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(Q83002588)
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English
6-Fluorocholest-5-en-3-ol
group of stereoisomers with the chemical formula C₂₇H₄₅FO
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
404.34544428000004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₅FO
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CCCC(C)C1CCC2C3CC(F)=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(F)=C4CC(O)CC[C@]4(C)[C@H]3CC[C@@]21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H45FO/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(28)24-15-19(29)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-23,29H,6-16H2,1-5H3/t18-,19?,20+,21+,22+,23+,26-,27-/m1/s1
0 references
InChIKey
KVAZIFKRVOEFIV-RGHCLLKBSA-N
0 references
CAS Registry Number
86361-68-4
0 references
PubChem CID
135206
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
43142576
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101006765
0 references
DSSTOX compound identifier
DTXCID201433632
0 references
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