rel-(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-1,3,3a,4a,5,8,10,10a,11a,12-Decahydro-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronene-6,13-dione
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![rel-(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-1,3,3a,4a,5,8,10,10a,11a,12-Decahydro-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronene-6,13-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/94013de250124dd78731c9960c049ea5.png "rel-(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-1,3,3a,4a,5,8,10,10a,11a,12-Decahydro-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronene-6,13-dione")
rel-(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-1,3,3a,4a,5,8,10,10a,11a,12-Decahydro-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronene-6,13-dione
structure -
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CAS No:
1674-44-8
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Formula:
C30H26O10
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Chemical Name:
rel-(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-1,3,3a,4a,5,8,10,10a,11a,12-Decahydro-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronene-6,13-dione
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Synonyms:
6H,13H-2,4,9,11-Tetraoxadibenzo[bc,kl]coronene-6,13-dione,1,3,3a,4a,5,8,10,10a,11a,12-decahydro-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-,(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-rel-;6H,13H-2,4,9,11-Tetraoxadibenzo[bc,kl]coronene-6,13-dione,1,3,3a,4a,5,8,10,10a,11a,12-decahydro-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-,(1α,3β,3aβ,4aβ,8α,10β,10aβ,11aβ)-;Xanthoaphin fb;rel-(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-1,3,3a,4a,5,8,10,10a,11a,12-Decahydro-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronene-6,13-dione
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CAS No:
Description
Xanthoaphin is the product from the treatment of protoaphin aglucone with protoaphin dehydratase (EC 4.2.1.73). It is an organic polycyclic compound and a hemiketal. It is a conjugate acid of a xanthoaphin(1-).
rel-(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-1,3,3a,4a,5,8,10,10a,11a,12-Decahydro-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronene-6,13-dione Basic Attributes
546.5 g/mol
546.52
DTXSID20331424
Computed Properties
Molecular Weight:546.5
XLogP3:1.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Exact Mass:546.15259702
Monoisotopic Mass:546.15259702
Topological Polar Surface Area:152
Heavy Atom Count:40
Complexity:1100
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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