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(Q82433937)
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English
(11beta,20S)-11,17,20,21-Tetrahydroxypregna-1,4-dien-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(8S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
1 reference
based on heuristic
inferred from SMILES
mass
362.20932406
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(11beta,20R)-11,17,20,21-Tetrahydroxypregna-1,4-dien-3-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₀O₅
0 references
canonical SMILES
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(O)CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O
0 references
Identifiers
InChI
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-18,22,24-26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
0 references
InChIKey
LCOVYWIXMAJCDS-FJWDNACWSA-N
0 references
CAS Registry Number
2299-46-9
0 references
PubChem CID
13962391
0 references
ChEBI ID
166776
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
14573812
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90553373
0 references
DSSTOX compound identifier
DTXCID20504156
0 references
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