5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
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5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
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CAS No:
5956-15-0
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Formula:
C20H32O4
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Chemical Name:
5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
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Synonyms:
diterpene 8(17)-labden-15,19-dioic acid;junicedric acid;Dihydroagathic acid;Junicedric acid;41787-69-3;NCGC00385898-01;5-(4-Carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid #;NCGC00385898-01_C20H32O4_1-Naphthalenepentanoic acid, 5-carboxydecahydro-beta,5,8a-trimethyl-2-methylene-
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CAS No:
5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid Basic Attributes
336.5 g/mol
336.23005950 g/mol
Computed Properties
Molecular Weight:336.5
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:336.23005950
Monoisotopic Mass:336.23005950
Topological Polar Surface Area:74.6
Heavy Atom Count:24
Complexity:526
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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