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(Q83064439)
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English
3-hydroxypregna-5,16-dien-20-one 3-acetate
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
356.23514488399996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₃H₃₂O₃
0 references
canonical SMILES
CC(=O)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
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isomeric SMILES
CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OC(=O)C)C)C
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Identifiers
InChI
InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17?,18-,20-,21-,22-,23+/m0/s1
0 references
InChIKey
MZWRIOUCMXPLKV-KHLRSJGRSA-N
0 references
CAS Registry Number
38521-84-5
1 reference
InChIKey
MZWRIOUCMXPLKV-KHLRSJGRSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=38521-84-5
PubChem CID
10904398
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
29703017
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50191851
0 references
DSSTOX compound identifier
DTXCID90114342
0 references
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