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Home Aldehydes 968-49-0
968-49-0,MFCD00010471
Catalog No.:AA019FQR

968-49-0 | (8R,9S,10S,13S,14S)-13-Methyl-3,17-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA019FQR
Chemical Name:
(8R,9S,10S,13S,14S)-13-Methyl-3,17-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
CAS Number:
968-49-0
Molecular Formula:
C19H24O3
Molecular Weight:
300.3921
MDL Number:
MFCD00010471
SMILES:
O=C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
NSC Number:
76985
Properties
Computed Properties
 
Complexity:
590  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
1.7  

Literature

Title: C(10)-C(19) bond cleavage reaction of 19-oxygenated androst-4-ene-3,6-dione steroids under various conditions.

Journal: Chemical & pharmaceutical bulletin 20040801

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Tags:968-49-0 Molecular Formula|968-49-0 MDL|968-49-0 SMILES|968-49-0 (8R,9S,10S,13S,14S)-13-Methyl-3,17-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde