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(Q82878998)
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English
6,17,20-Trihydroxypregn-4-en-3-one
group of stereoisomers with the chemical formula C₂₁H₃₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
348.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)C1(O)CCC2C3CC(O)C4=CC(=O)CCC4(C)C3CCC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CC(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H32O4/c1-12(22)21(25)9-6-16-14-11-18(24)17-10-13(23)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,12,14-16,18,22,24-25H,4-9,11H2,1-3H3/t12?,14-,15+,16+,18?,19-,20+,21+/m1/s1
0 references
InChIKey
IOYKCORNMBALAV-INEPUAKGSA-N
0 references
CAS Registry Number
105248-42-8
0 references
PubChem CID
147076
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
29233264
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30909395
0 references
DSSTOX compound identifier
DTXCID401338458
0 references
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