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(Q82894710)
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English
7-Bromo-6-methoxyestra-1,3,5(10)-triene-3,17-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
estrane steroid
1 reference
based on heuristic
inferred from SMILES
mass
380.09870676
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₅BrO₃
0 references
canonical SMILES
COC1c2cc(O)ccc2C2CCC3(C)C(O)CCC3C2C1Br
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H]([C@H](C4=C3C=CC(=C4)O)OC)Br
0 references
Identifiers
InChI
InChI=1S/C19H25BrO3/c1-19-8-7-12-11-4-3-10(21)9-13(11)18(23-2)17(20)16(12)14(19)5-6-15(19)22/h3-4,9,12,14-18,21-22H,5-8H2,1-2H3/t12-,14+,15+,16-,17+,18+,19+/m1/s1
0 references
InChIKey
IRFSYPWIHGNEAN-CORSCNNSSA-N
0 references
CAS Registry Number
115375-37-6
0 references
PubChem CID
67390
1 reference
matched by identifier from
InChIKey
InChIKey
IRFSYPWIHGNEAN-CORSCNNSSA-N
UniChem compound ID
67514515
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40921705
1 reference
matched by identifier from
InChIKey
InChIKey
IRFSYPWIHGNEAN-CORSCNNSSA-N
DSSTOX compound identifier
DTXCID601350595
0 references
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