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English
17-{[Hydroxy(methoxy)methylidene]amino}androstan-3-yl methyl carbonate
group of stereoisomers with the chemical formula C₂₃H₃₇NO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
407.26717328399997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₇NO₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(N=C(O)OC)CCC32)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@H]4N=C(O)OC)C3CC[C@H]2C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H37NO5/c1-22-11-9-15(29-21(26)28-4)13-14(22)5-6-16-17-7-8-19(24-20(25)27-3)23(17,2)12-10-18(16)22/h14-19H,5-13H2,1-4H3,(H,24,25)/t14-,15-,16?,17?,18?,19+,22-,23-/m0/s1
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InChIKey
SNEOTXIRBDTHNR-BHNAHYMUSA-N
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CAS Registry Number
126054-47-5
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PubChem CID
3079574
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
63175911
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50925390
0 references
DSSTOX compound identifier
DTXCID001354220
0 references
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