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Home > Encyclopedia > [(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,5,9-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] benzoate

[(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,5,9-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] benzoate

[(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,5,9-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] benzoate structure

[(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,5,9-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] benzoate 

structure
  • CAS No:

    204199-83-7

  • Formula:

    C35H42O12

  • Chemical Name:

    [(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,5,9-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] benzoate

  • Synonyms:

    decipinone;NSC709310;NSC-709310;204199-83-7

[(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,5,9-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] benzoate Basic Attributes

654.7 g/mol

654.26762677 g/mol

709310

Characteristics

169 Ų

Computed Properties

Molecular Weight:654.7
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:13
Exact Mass:654.26762677
Monoisotopic Mass:654.26762677
Topological Polar Surface Area:169
Heavy Atom Count:47
Complexity:1350
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,5,9-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] benzoate

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