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English
17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate
group of stereoisomers with the chemical formula C₂₀H₂₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
330.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OC12C=CC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)O[C@]12C=CC(=O)C=C1CCC1C3CC[C@H](O)C3(C)CCC12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H26O4/c1-12(21)24-20-10-7-14(22)11-13(20)3-4-15-16-5-6-18(23)19(16,2)9-8-17(15)20/h7,10-11,15-18,23H,3-6,8-9H2,1-2H3/t15?,16?,17?,18-,19?,20+/m0/s1
0 references
InChIKey
NJDXYOQKHWTDHN-VVTOXQCRSA-N
0 references
CAS Registry Number
4147-11-9
0 references
PubChem CID
20103
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
65331159
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90961737
0 references
DSSTOX compound identifier
DTXCID401389556
0 references
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