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English
7,14-Dihydroxypregn-4-ene-3,20-dione
group of stereoisomers with the chemical formula C₂₁H₃₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
346.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)C1CCC2(O)C3C(O)CC4=CC(=O)CCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)[C@H]1CCC2(O)[C@@H]3C(O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H30O4/c1-12(22)15-6-9-21(25)18-16(5-8-20(15,21)3)19(2)7-4-14(23)10-13(19)11-17(18)24/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17?,18+,19+,20-,21?/m1/s1
0 references
InChIKey
NEVVHGHXJACRQZ-YLNYIHQKSA-N
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CAS Registry Number
640-30-2
0 references
PubChem CID
150838
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
31597461
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80981909
0 references
DSSTOX compound identifier
DTXCID401409176
0 references
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