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Home > Encyclopedia > [(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate

[(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate

[(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate structure

[(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate 

structure
  • CAS No:

    4026-97-5

  • Formula:

    C28H36O7

  • Chemical Name:

    [(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate

  • Synonyms:

    Acetylcinobufagin;4026-97-5;Cinobufagin, 3-acetyl-;Cinobufagin acetate (6CI);Bufa-20,22-dienolide, 3,16-dihydroxy-14,15-epoxy-, 3,16-diacetate;3-beta,16-beta-Dihydroxy-14,15-beta-epoxy-5-beta-bufa-20,22-dienolide 3,16-diacetate;5-beta-Bufa-20,22-dienolide, 14,15-beta-epoxy-3-beta,16-beta-dihydroxy-, 3,16-diacetate;DTXSID10960661;3,16-Bis(acetyloxy)-14,15-epoxybufa-20,22-dienolide

[(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate Basic Attributes

484.6 g/mol

484.24610348 g/mol

Characteristics

91.4 Ų

Computed Properties

Molecular Weight:484.6
XLogP3:3.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:484.24610348
Monoisotopic Mass:484.24610348
Topological Polar Surface Area:91.4
Heavy Atom Count:35
Complexity:1030
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate

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