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(Q82890820)
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English
11,18:18,21-Diepoxypregn-4-ene-3,20-dione
group of stereoisomers with the chemical formula C₂₁H₂₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
342.18310931199994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC(=O)C=C1CCC1C2C2CC34C(OCC(=O)C3CCC14)O2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H]2CC34C(OCC(=O)[C@H]3CC[C@@H]14)O2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H26O4/c1-20-7-6-12(22)8-11(20)2-3-13-14-4-5-15-16(23)10-24-19-21(14,15)9-17(25-19)18(13)20/h8,13-15,17-19H,2-7,9-10H2,1H3/t13-,14-,15+,17-,18+,19?,20-,21?/m0/s1
0 references
InChIKey
ACLQUYHRDOCPTN-RCTQUVNZSA-N
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CAS Registry Number
93177-03-8
0 references
PubChem CID
125013
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
64808299
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30918629
0 references
DSSTOX compound identifier
DTXCID901347575
0 references
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