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(Q82899170)
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English
3-Oxo-5,10-epoxyestran-17-yl acetate
group of stereoisomers with the chemical formula C₂₀H₂₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OC1CCC2C3CCC45CC(=O)CCC4(O5)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC45CC(=O)CCC4(O5)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H28O4/c1-12(21)23-17-4-3-15-14-6-9-19-11-13(22)5-10-20(19,24-19)16(14)7-8-18(15,17)2/h14-17H,3-11H2,1-2H3/t14-,15-,16-,17-,18-,19?,20?/m0/s1
0 references
InChIKey
KEMFSPTYPOTLGN-QAFAMXTMSA-N
0 references
CAS Registry Number
124831-98-7
0 references
PubChem CID
130277
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
53011733
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50924944
0 references
DSSTOX compound identifier
DTXCID301353776
0 references
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