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Home > Encyclopedia > [(2S,3R,3aR,3bS,4E,6aR,7aS)-2-acetyloxy-4-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethylidene]-5-oxo-2,3,3a,3b,6a,7a-hexahydrodifuro[5,3-a:5',4'-d]furan-3-yl] acetate

[(2S,3R,3aR,3bS,4E,6aR,7aS)-2-acetyloxy-4-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethylidene]-5-oxo-2,3,3a,3b,6a,7a-hexahydrodifuro[5,3-a:5',4'-d]furan-3-yl] acetate

[(2S,3R,3aR,3bS,4E,6aR,7aS)-2-acetyloxy-4-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethylidene]-5-oxo-2,3,3a,3b,6a,7a-hexahydrodifuro[5,3-a:5',4'-d]furan-3-yl] acetate structure

[(2S,3R,3aR,3bS,4E,6aR,7aS)-2-acetyloxy-4-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethylidene]-5-oxo-2,3,3a,3b,6a,7a-hexahydrodifuro[5,3-a:5',4'-d]furan-3-yl] acetate 

structure
  • CAS No:

    106621-85-6

  • Formula:

    C22H28O8

  • Chemical Name:

    [(2S,3R,3aR,3bS,4E,6aR,7aS)-2-acetyloxy-4-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethylidene]-5-oxo-2,3,3a,3b,6a,7a-hexahydrodifuro[5,3-a:5',4'-d]furan-3-yl] acetate

[(2S,3R,3aR,3bS,4E,6aR,7aS)-2-acetyloxy-4-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethylidene]-5-oxo-2,3,3a,3b,6a,7a-hexahydrodifuro[5,3-a:5',4'-d]furan-3-yl] acetate Basic Attributes

420.45300

420.17841785

Characteristics

97.36000

2.76210

1.28g/cm3

566ºC

245.5ºC

1.55

7.84E-13mmHg at 25°C

Computed Properties

Molecular Weight:420.5
XLogP3:3.1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:420.17841785
Monoisotopic Mass:420.17841785
Topological Polar Surface Area:97.4
Heavy Atom Count:30
Complexity:810
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(2S,3R,3aR,3bS,4E,6aR,7aS)-2-acetyloxy-4-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethylidene]-5-oxo-2,3,3a,3b,6a,7a-hexahydrodifuro[5,3-a:5',4'-d]furan-3-yl] acetate

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