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Home > Encyclopedia > 9-Chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-[1,4]benzodioxepino[2,3-g]-1-benzopyran-7-carboxaldehyde

9-Chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-[1,4]benzodioxepino[2,3-g]-1-benzopyran-7-carboxaldehyde

9-Chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-[1,4]benzodioxepino[2,3-g]-1-benzopyran-7-carboxaldehyde structure

9-Chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-[1,4]benzodioxepino[2,3-g]-1-benzopyran-7-carboxaldehyde 

structure
  • CAS No:

    68455-12-9

  • Formula:

    C21H17ClO8

  • Chemical Name:

    9-Chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-[1,4]benzodioxepino[2,3-g]-1-benzopyran-7-carboxaldehyde

  • Synonyms:

    2H,11H-[1,4]Benzodioxepino[2,3-g]-1-benzopyran-7-carboxaldehyde,9-chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-;2H,11H-1-Benzopyrano[6,7-b][1,4]benzodioxepin-7-carboxaldehyde,9-chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-;9-Chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-[1,4]benzodioxepino[2,3-g]-1-benzopyran-7-carboxaldehyde;Mollicellin F

Description

Mollicellin F is a member of the class of depsidones that is 3,4-dihydro-H,11H-chromeno[6,7-b][1,4]benzodioxepine substituted by a chloro group at position 9, hydroxy groups at positions 8 and 13, methyl groups at positions 2, 2, 5 and 10, oxo groups at positions 4 and 11 and a formyl group at position 7. Isolated from Chaetomium brasiliense, it exhibits cytotoxic activity. It has a role as an antineoplastic agent and a Chaetomium metabolite. It is an aldehyde, a member of depsidones, an organic heterotetracyclic compound, a polyphenol and an organochlorine compound.

9-Chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-[1,4]benzodioxepino[2,3-g]-1-benzopyran-7-carboxaldehyde Basic Attributes

432.8 g/mol

432.81

12JN3G4938

DTXSID70218574

Characteristics

119 Ų

256-257 °C

Computed Properties

Molecular Weight:432.8
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:432.0611952
Monoisotopic Mass:432.0611952
Topological Polar Surface Area:119
Heavy Atom Count:30
Complexity:741
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 9-Chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-[1,4]benzodioxepino[2,3-g]-1-benzopyran-7-carboxaldehyde

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