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(Q82875973)
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English
16-Hydroxy-4,4,14-trimethyl-20-(methylamino)-9,19-cyclopregn-1-en-3-one
group of stereoisomers with the chemical formula C₂₅H₃₉NO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
385.29807948800004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₉NO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CNC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(=O)C=CC45CC35CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN[C@@H](C)[C@H]1[C@H](O)CC2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=CC45CC35CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H39NO2/c1-15(26-6)20-16(27)13-23(5)18-8-7-17-21(2,3)19(28)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h9-10,15-18,20,26-27H,7-8,11-14H2,1-6H3/t15-,16+,17-,18-,20-,22+,23?,24?,25?/m0/s1
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InChIKey
QMJBXYCYYGJONN-MBBMXBHXSA-N
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CAS Registry Number
102092-24-0
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PubChem CID
188662
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
50139780
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40907084
0 references
DSSTOX compound identifier
DTXCID901336176
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