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English
Cholestane-2,3,3-triol
group of stereoisomers with the chemical formula C₂₇H₄₈O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
420.36034539599996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₈O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CCCC(C)C1CCC2C3CCC4CC(O)(O)C(O)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)(O)C(O)C[C@]4(C)[C@H]3CC[C@@]21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-27(29,30)24(28)16-26(19,5)23(20)13-14-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19?,20+,21+,22+,23+,24?,25-,26+/m1/s1
0 references
InChIKey
AJNWPAVTXLOHTH-RRYOLQTISA-N
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CAS Registry Number
72879-16-4
0 references
PubChem CID
155754
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68363120
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80993663
0 references
DSSTOX compound identifier
DTXCID501420705
0 references
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