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English
6-Methylidene-3,20-dioxo-19-norpregn-4-en-17-yl acetate
group of stereoisomers with the chemical formula C₂₃H₃₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
370.21440943999994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=C1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C2CCC(=O)C=C12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC3(OC(C)=O)C(C)=O)[C@H]2CCC(=O)C=C12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h12,17-18,20-21H,1,5-11H2,2-4H3/t17-,18-,20-,21+,22+,23?/m1/s1
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InChIKey
YBBDZPBFRFPTJE-AFHJIISKSA-N
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CAS Registry Number
58652-19-0
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PubChem CID
93871
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49744467
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00974191
0 references
DSSTOX compound identifier
DTXCID001401625
0 references
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