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(Q82933555)
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English
Pregnan-20-one
group of stereoisomers with the chemical formula C₂₁H₃₄O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
302.260965708
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₄O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)C1CCC2C3CCC4CCCCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H34O/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3/h15-19H,4-13H2,1-3H3/t15?,16-,17+,18-,19-,20-,21+/m0/s1
0 references
InChIKey
RSRDWHPVTMQUGZ-OZIWPBGVSA-N
0 references
CAS Registry Number
32695-80-0
0 references
PubChem CID
169462
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
25817111
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90954381
0 references
DSSTOX compound identifier
DTXCID601382401
0 references
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