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Home > Encyclopedia > [(1R,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] acetate

[(1R,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] acetate

[(1R,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] acetate structure

[(1R,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] acetate 

structure
  • CAS No:

    193816-71-6

  • Formula:

    C27H40O6

  • Chemical Name:

    [(1R,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] acetate

  • Synonyms:

    cavernosolide;193816-71-6;CHEMBL464120;DTXSID40941069;3-(2-Hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-4b,7,7,10a-tetramethylhexadecahydro-1H-phenanthro[2,1-c]pyran-1-yl acetate

[(1R,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] acetate Basic Attributes

460.6 g/mol

460.28248899 g/mol

Characteristics

82.1 Ų

Computed Properties

Molecular Weight:460.6
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:460.28248899
Monoisotopic Mass:460.28248899
Topological Polar Surface Area:82.1
Heavy Atom Count:33
Complexity:863
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1R,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] acetate

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