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English
26-Hydroxycholestan-7-one
group of stereoisomers with the chemical formula C₂₇H₄₆O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
402.349780712
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₆O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(CO)CCCC(C)C1CCC2C3C(=O)CC4CCCCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)CC4CCCC[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H46O2/c1-18(17-28)8-7-9-19(2)21-11-12-22-25-23(13-15-27(21,22)4)26(3)14-6-5-10-20(26)16-24(25)29/h18-23,25,28H,5-17H2,1-4H3/t18?,19-,20?,21-,22+,23+,25+,26+,27-/m1/s1
0 references
InChIKey
NPIAPVQJXMWQKS-ZIFSMLSUSA-N
0 references
CAS Registry Number
7591-17-5
0 references
PubChem CID
53471659
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
29395864
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90703710
0 references
DSSTOX compound identifier
DTXCID70654458
0 references
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