8-Hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methyl-2-buten-1-yl)-2-[(3-methyl-2-buten-1-yl)oxy]-9H-xanthen-9-one
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![8-Hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methyl-2-buten-1-yl)-2-[(3-methyl-2-buten-1-yl)oxy]-9H-xanthen-9-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d53dff3cffe144d5be88c517155000db.png "8-Hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methyl-2-buten-1-yl)-2-[(3-methyl-2-buten-1-yl)oxy]-9H-xanthen-9-one")
8-Hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methyl-2-buten-1-yl)-2-[(3-methyl-2-buten-1-yl)oxy]-9H-xanthen-9-one
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CAS No:
55812-93-6
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Formula:
C25H28O5
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Chemical Name:
8-Hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methyl-2-buten-1-yl)-2-[(3-methyl-2-buten-1-yl)oxy]-9H-xanthen-9-one
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Synonyms:
9H-Xanthen-9-one,8-hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methyl-2-buten-1-yl)-2-[(3-methyl-2-buten-1-yl)oxy]-;9H-Xanthen-9-one,8-hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methyl-2-butenyl)-2-[(3-methyl-2-butenyl)oxy]-;8-Hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methyl-2-buten-1-yl)-2-[(3-methyl-2-buten-1-yl)oxy]-9H-xanthen-9-one;Variecoxanthone B;Emericellin;55062-37-8
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CAS No:
Description
Emericellin is a xanthone that is xanthen-9-one bearing hydroxymethyl, 3,3-dimethylallyloxy, methyl, 3,3-dimethylallyl and hydroxy groups at positions 1, 2, 3, 5 and 8 respectively. A secondary metabolite produced by Aspergillus nidulans. It has a role as a metabolite. It is a member of xanthones, an aromatic ether and a member of phenols.
8-Hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methyl-2-buten-1-yl)-2-[(3-methyl-2-buten-1-yl)oxy]-9H-xanthen-9-one Basic Attributes
408.48700
408.49
W1D56SC6FA
DTXSID80204403
Computed Properties
Molecular Weight:408.5
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:408.19367399
Monoisotopic Mass:408.19367399
Topological Polar Surface Area:76
Heavy Atom Count:30
Complexity:661
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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