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(Q28487680)
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English
allopregnan-3beta-ol-20-one
group of isomeric compounds
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No description defined
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Statements
instance of
group of isomeric entities
0 references
subclass of
pregnane steroid
0 references
mass
318.4942
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₄O₂
0 references
canonical SMILES
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
0 references
Identifiers
InChI
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3
1 reference
stated in
PubChem
InChIKey
AURFZBICLPNKBZ-UHFFFAOYSA-N
1 reference
stated in
PubChem
PubChem CID
262961
2 references
imported from Wikimedia project
English Wikipedia
matched by identifier from
InChIKey
InChIKey
AURFZBICLPNKBZ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL6447469
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AURFZBICLPNKBZ-UHFFFAOYSA-N
UniChem compound ID
884516
1 reference
stated in
UniChem
NMRShiftDB structure ID
10009052
1 reference
matched by identifier from
InChIKey
InChIKey
AURFZBICLPNKBZ-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0245902
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AURFZBICLPNKBZ-UHFFFAOYSA-N
Probes And Drugs ID
PD040426
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