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English
21-Chloro-3-hydroxypregn-5-en-20-one
group of stereoisomers with the chemical formula C₂₁H₃₁ClO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
350.201257912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₁ClO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC(O)CC1=CCC1C2CCC2(C)C(C(=O)CCl)CCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4CC(O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CCl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H31ClO2/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,23H,4-12H2,1-2H3/t14?,15-,16-,17-,18+,20-,21-/m0/s1
0 references
InChIKey
PKGVHUPHLJLSIM-JIUSCHCVSA-N
0 references
CAS Registry Number
30459-98-4
0 references
PubChem CID
153702
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58222239
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90952786
0 references
DSSTOX compound identifier
DTXCID701380860
0 references
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