 Home > Encyclopedia > 2-[[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol

2-[[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol

2-[[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol structure

CAS No:
39707-54-5
Formula:
C21H30O2
Chemical Name:
2-[[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol
Synonyms:
Zonarol;ZONAROL;NSC331122;(+)-zonarol;CHEMBL461471;SCHEMBL2944215;NSC-331122;2-[[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol;NCI60_002902;39707-54-5

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2-[[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol Basic Attributes

Molecular Weight：

314.5 g/mol

Exact Mass：

314.224580195 g/mol

NSC Number：

331122

Characteristics

PSA：

40.5 Å²

Drug Information

MeSH Entry Terms：

Zonarol

Computed Properties

Molecular Weight:314.5
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:314.224580195
Monoisotopic Mass:314.224580195
Topological Polar Surface Area:40.5
Heavy Atom Count:23
Complexity:455
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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