(4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid
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![(4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/870deced6c03485aa9862ac15e422172.png "(4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid")
(4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid
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CAS No:
18411-75-1
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Formula:
C20H28O4
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Chemical Name:
(4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid
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Synonyms:
1-Naphthalenecarboxylic acid,5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-,(4aR,5S,6R,8aS)-;17,19-Dinor-8βH-labda-3,13(16),14-trien-18-oic acid,15,16-epoxy-5-(hydroxymethyl)-9-methyl-,(-)-;1-Naphthalenecarboxylic acid,5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-,[4aR-(4aα,5α,6β,8aβ)]-;(4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid;Hautriwaic acid;(-)-Hautriwaic acid;5,9-Di-epi-vishautriwaic acid
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CAS No:
(4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid Basic Attributes
332.4
332.43
Characteristics
70.67000
4.92
1.1±0.1 g/cm3
183-184 °C
475.7±20.0 °C at 760 mmHg
241.5±21.8 °C
1.533
Computed Properties
Molecular Weight:332.4
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:332.19875937
Monoisotopic Mass:332.19875937
Topological Polar Surface Area:70.7
Heavy Atom Count:24
Complexity:514
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(4aR,5S,6R,8aS)-5-[2-(3-Furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-1-naphthalenecarboxylic acid
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