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(Q76414567)
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English
(8R,9S,10R,13S,14S,17S)-17-hydroxy-13,16,16-trimethyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Metogest
1 reference
based on heuristic
inferred from SMILES
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
CC1(C)CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC([C@@H]2O)(C)C)CCC4=CC(=O)CC[C@H]34
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Identifiers
InChI
InChI=1S/C20H30O2/c1-19(2)11-17-16-6-4-12-10-13(21)5-7-14(12)15(16)8-9-20(17,3)18(19)22/h10,14-18,22H,4-9,11H2,1-3H3/t14-,15+,16+,17-,18-,20-/m0/s1
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InChIKey
JYCITEUSLNKPHC-URNBORRASA-N
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CAS Registry Number
52279-58-0
1 reference
InChIKey
JYCITEUSLNKPHC-URNBORRASA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=52279-58-0
PubChem CID
9839398
0 references
UniChem compound ID
27304487
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00200306
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID60122797
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