Nootkatol
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Nootkatol
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CAS No:
50763-67-2
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Formula:
C15H24O
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Chemical Name:
Nootkatol
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Synonyms:
2-Naphthalenol,2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-,(2S,4R,4aS,6R)-;2-Naphthalenol,2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-,[2S-(2α,4α,4aα,6β)]-;(2S,4R,4aS,6R)-2,3,4,4a,5,6,7,8-Octahydro-4,4a-dimethyl-6-(1-methylethenyl)-2-naphthalenol;Nootkatol;β-Nootkatol;2S-Hydroxyvalencene
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CAS No:
Description
Beta-nootkatol is a 4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol with (2S,4R,4aS,6R) stereochemistry. It has a role as a plant metabolite.
Computed Properties
Molecular Weight:220.35
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:220.182715385
Monoisotopic Mass:220.182715385
Topological Polar Surface Area:20.2
Heavy Atom Count:16
Complexity:328
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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