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English
17a-Hydroxy-19-norpregn-4-ene-3,20-dione
chemical compound
17-Hydroxy-19-nor-17a-pregn-4-ene-3,20-dione
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
316.20384475599997
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
gestonorone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₃
0 references
canonical SMILES
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
0 references
InChIKey
GTFUITFQDGVJSK-XGXHKTLJSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
16895-64-0
0 references
PubChem CID
102210
1 reference
matched by identifier from
InChIKey
InChIKey
GTFUITFQDGVJSK-XGXHKTLJSA-N
ChEBI ID
135991
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
SureChEMBL ID
SCHEMBL141624
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GTFUITFQDGVJSK-XGXHKTLJSA-N
DSSTox substance ID
DTXSID50175631
1 reference
matched by identifier from
InChIKey
InChIKey
GTFUITFQDGVJSK-XGXHKTLJSA-N
DrugBank ID
DB13230
1 reference
matched by identifier from
InChIKey
InChIKey
GTFUITFQDGVJSK-XGXHKTLJSA-N
UNII
H4G605B7VP
1 reference
matched by identifier from
InChIKey
InChIKey
GTFUITFQDGVJSK-XGXHKTLJSA-N
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