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(Q123343569)
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English
16alpha,17alpha-epoxy-12beta-hydroxypregna-4,6-diene-3,20-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pregnane steroid
1 reference
based on heuristic
inferred from SMILES
mass
342.183109312
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(17R)-12beta-Hydroxy-16beta,17-epoxypregna-4,6-diene-3,20-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)C12OC1CC1C3C=CC4=CC(=O)CCC4(C)C3CC(O)C12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1CC(=O)C=C2C=C[C@@]3([H])[C@]4([H])C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]12C
0 references
Identifiers
InChI
InChI=1S/C21H26O4/c1-11(22)21-18(25-21)10-16-14-5-4-12-8-13(23)6-7-19(12,2)15(14)9-17(24)20(16,21)3/h4-5,8,14-18,24H,6-7,9-10H2,1-3H3/t14-,15+,16+,17-,18-,19+,20-,21-/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
UEKBPJOUDFFTMZ-LYWOIHLFSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
171118647
1 reference
matched by identifier from
InChIKey
InChIKey
UEKBPJOUDFFTMZ-LYWOIHLFSA-N
LIPID MAPS ID
LMST02030254
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