2-Chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one
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![2-Chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1eb85c2d2c5049f4b5c2a4a3afcb10bd.png "2-Chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one")
2-Chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one
structure -
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CAS No:
68455-11-8
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Formula:
C21H21ClO6
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Chemical Name:
2-Chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one
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Synonyms:
11H-Dibenzo[b,e][1,4]dioxepin-11-one,2-chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-;11H-Dibenzo[b,e][1,4]dioxepin-11-one,2-chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-butenyl)-;2-Chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one;Mollicellin D
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CAS No:
2-Chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one Basic Attributes
404.84100
404.84
AB983U35T0
DTXSID10218573
Computed Properties
Molecular Weight:404.8
XLogP3:5.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:404.1026661
Monoisotopic Mass:404.1026661
Topological Polar Surface Area:96.2
Heavy Atom Count:28
Complexity:606
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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