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(Q82903595)
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English
3-Hydroxy-5,6-epoxypregn-16-en-20-one
group of stereoisomers with the chemical formula C₂₁H₃₀O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
330.21949481999997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)C1=CCC2C3CC4OC45CC(O)CCC5(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)C1=CC[C@H]2[C@@H]3CC4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H30O3/c1-12(22)15-4-5-16-14-10-18-21(24-18)11-13(23)6-9-20(21,3)17(14)7-8-19(15,16)2/h4,13-14,16-18,23H,5-11H2,1-3H3/t13-,14-,16-,17-,18?,19+,20+,21-/m0/s1
0 references
InChIKey
FJOFXGFQXDZWJF-DQVHTYIBSA-N
0 references
CAS Registry Number
13485-13-7
0 references
PubChem CID
114653
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56968299
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40928779
0 references
DSSTOX compound identifier
DTXCID001357543
0 references
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