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(Q82295511)
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English
502849-04-9
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
PUBCHEM_45092593
1 reference
based on heuristic
inferred from SMILES
AG-G-99775
1 reference
based on heuristic
inferred from SMILES
mass
304.20384475599997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
7β-hydroxydehydroepiandrosterone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
7α-hydroxydehydroepiandrosterone
1 reference
based on heuristic
inferred from InChI
SCHEMBL1952526
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₈O₃
0 references
canonical SMILES
CC12CCC3C(C(O)C=C4CC(O)CCC43C)C1CCC2=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](C=C4[C@@]3(CC[C@H](C4)O)C)O
0 references
Identifiers
InChI
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13+,14+,15-,17+,18+,19+/m1/s1
0 references
InChIKey
OLPSAOWBSPXZEA-VFELUIQASA-N
0 references
CAS Registry Number
502849-04-9
0 references
PubChem CID
11544015
0 references
UniChem compound ID
28831083
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20468340
0 references
DSSTOX compound identifier
DTXCID60419159
0 references
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