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English
3-Hydroxyestra-1(10),2,4-trien-17-yl hydrogen dimethylcarbonohydrazonate
group of stereoisomers with the chemical formula C₂₁H₃₀N₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
358.22564282
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀N₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN(C)N=C(O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN(C)NC(=O)O[C@H]1CCC2C3CCc4cc(O)ccc4C3CCC21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H30N2O3/c1-21-11-10-16-15-7-5-14(24)12-13(15)4-6-17(16)18(21)8-9-19(21)26-20(25)22-23(2)3/h5,7,12,16-19,24H,4,6,8-11H2,1-3H3,(H,22,25)/t16?,17?,18?,19-,21?/m0/s1
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InChIKey
FMHVCEVHTFFJDV-TWJKGYNYSA-N
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CAS Registry Number
55081-70-4
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PubChem CID
41319
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
63227452
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50970441
0 references
DSSTOX compound identifier
DTXCID301397972
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