3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
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![3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a3d0d5621b894bc4bd5d57ef29964cf2.png "3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione")
3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
structure -
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CAS No:
69672-66-8
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Formula:
C22H30O4
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Chemical Name:
3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
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Synonyms:
5-epi-isospongiaquinone;isospongiaquinone;5-epi-Isospongiaquinone;69672-66-8;SCHEMBL21397074;DTXSID40989825;2,5-Cyclohexadiene-1.4-dione, 2-hydroxy-5-methoxy-3-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-;2-Hydroxy-5-methoxy-3-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione
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CAS No:
3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione Basic Attributes
358.5 g/mol
358.21440943 g/mol
Computed Properties
Molecular Weight:358.5
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:358.21440943
Monoisotopic Mass:358.21440943
Topological Polar Surface Area:63.6
Heavy Atom Count:26
Complexity:741
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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