rel-(1R,12aS)-1,12a-Dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methyl-2-buten-1-yl)[1]benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one
-
![rel-(1R,12aS)-1,12a-Dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methyl-2-buten-1-yl)[1]benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8d6193ce41f248c5abee6c60f0fd094b.png "rel-(1R,12aS)-1,12a-Dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methyl-2-buten-1-yl)[1]benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one")
rel-(1R,12aS)-1,12a-Dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methyl-2-buten-1-yl)[1]benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one
structure -
-
CAS No:
50875-10-0
-
Formula:
C25H28O6
-
Chemical Name:
rel-(1R,12aS)-1,12a-Dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methyl-2-buten-1-yl)[1]benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one
-
Synonyms:
[1]Benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one,1,12a-dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methyl-2-buten-1-yl)-,(1R,12aS)-rel-;[1]Benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one,1,12a-dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methyl-2-butenyl)-,(1R,12aS)-rel-;rel-(1R,12aS)-1,12a-Dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methyl-2-buten-1-yl)[1]benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one;Arugosin C
-
CAS No:
Description
Arugosin C is an organic heterotetracyclic compound that is 1,12a-dihydrochromeno[4,5-bc][1]benzoxepin-7(2H)-one substituted by a hydroxy group at position 8, a 2-hydroxypropan-2-yl group at position 1, a methyl group at position 4 and a prenyl group at position 9. Isolated from Aspergillus, it exhibits inhibitory activity against hepatitis C protease. It has a role as a hepatitis C protease inhibitor and an Aspergillus metabolite. It is an organic heterotetracyclic compound, a cyclic ketone, a polyphenol, a cyclic ether and a tertiary alcohol.
rel-(1R,12aS)-1,12a-Dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methyl-2-buten-1-yl)[1]benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one Basic Attributes
424.5 g/mol
424.49
Computed Properties
Molecular Weight:424.5
XLogP3:5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:424.18858861
Monoisotopic Mass:424.18858861
Topological Polar Surface Area:96.2
Heavy Atom Count:31
Complexity:713
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation