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Home > Encyclopedia > (3aR)-7α-Bromo-3a,4a,5,6,7,8,8aβ,9-octahydro-4aα,8,8-trimethylfuro[3,4-b][1]benzoxepin-1(3H)-one

(3aR)-7α-Bromo-3a,4a,5,6,7,8,8aβ,9-octahydro-4aα,8,8-trimethylfuro[3,4-b][1]benzoxepin-1(3H)-one

(3aR)-7α-Bromo-3a,4a,5,6,7,8,8aβ,9-octahydro-4aα,8,8-trimethylfuro[3,4-b][1]benzoxepin-1(3H)-one structure

(3aR)-7α-Bromo-3a,4a,5,6,7,8,8aβ,9-octahydro-4aα,8,8-trimethylfuro[3,4-b][1]benzoxepin-1(3H)-one 

structure
  • CAS No:

    62003-89-8

  • Formula:

    C15H21BrO3

  • Chemical Name:

    (3aR)-7α-Bromo-3a,4a,5,6,7,8,8aβ,9-octahydro-4aα,8,8-trimethylfuro[3,4-b][1]benzoxepin-1(3H)-one

  • Synonyms:

    (3aR)-7α-Bromo-3a,4a,5,6,7,8,8aβ,9-octahydro-4aα,8,8-trimethylfuro[3,4-b][1]benzoxepin-1(3H)-one;(3aR)-7α-Bromo-3aβ,4a,5,6,7,8,8aβ,9-octahydro-4aα,8,8-trimethylfuro[3,4-b][1]benzoxepin-1(3H)-one;Aplysistatin;(3aR,4aS,7S,8aS)-7-Bromo-3a,4a,5,6,7,8,8a,9-octahydro-4a,8,8-trimethyl-furo[3,4-b][1]benzoxepin-1(3H)-one

(3aR)-7α-Bromo-3a,4a,5,6,7,8,8aβ,9-octahydro-4aα,8,8-trimethylfuro[3,4-b][1]benzoxepin-1(3H)-one Basic Attributes

329.23

328.06700

DTXSID20211055

Characteristics

35.53000

3.21690

1.38g/cm3

441.1ºC at 760 mmHg

220.6ºC

1.553

Drug Information

aplysistatin

Computed Properties

Molecular Weight:329.23
XLogP3:3.2
Hydrogen Bond Acceptor Count:3
Exact Mass:328.06741
Monoisotopic Mass:328.06741
Topological Polar Surface Area:35.5
Heavy Atom Count:19
Complexity:443
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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