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(Q76755540)
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English
[(8R,9S,10R,13S,14S,17S)-8,10,13-trimethyl-3-oxo-2,6,7,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] cyclohexanecarboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
412.29774513999996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₇H₄₀O₃
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canonical SMILES
CC12CCC3=CC(=O)CCC3(C1CCC4(C2CCC4OC(=O)C5CCCCC5)C)C
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isomeric SMILES
C[C@@]12CCC3=CC(=O)CC[C@@]3([C@H]1CC[C@]4([C@H]2CC[C@@H]4OC(=O)C5CCCCC5)C)C
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different from
testosterone cyclohexanoate
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Identifiers
InChI
InChI=1S/C27H40O3/c1-25-15-12-20(28)17-19(25)11-14-26(2)21-9-10-23(27(21,3)16-13-22(25)26)30-24(29)18-7-5-4-6-8-18/h17-18,21-23H,4-16H2,1-3H3/t21-,22+,23-,25-,26-,27-/m0/s1
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InChIKey
VIMCBTIOPSZXFN-GAPAIOIVSA-N
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CAS Registry Number
14191-92-5
reason for deprecated rank
applies to other chemical entity
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PubChem CID
71300374
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UniChem compound ID
59711948
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30161855
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID1084346
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