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English
3,20-Dioxo-9,11-epoxypregn-4-en-17-yl acetate
group of stereoisomers with the chemical formula C₂₃H₃₀O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
386.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)CCC4(C)C34OC4CC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C34O[C@@H]4C[C@@]21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H30O5/c1-13(24)22(27-14(2)25)10-8-17-18-6-5-15-11-16(26)7-9-20(15,3)23(18)19(28-23)12-21(17,22)4/h11,17-19H,5-10,12H2,1-4H3/t17-,18-,19+,20-,21-,22-,23?/m0/s1
0 references
InChIKey
UHRIXJLDCNOZKI-FTQODURBSA-N
0 references
CAS Registry Number
94425-51-1
0 references
PubChem CID
44149679
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67432847
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40915543
0 references
DSSTOX compound identifier
DTXCID401344514
0 references
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