(4aR)-5β-[2-(3-Furyl)ethyl]-3,4,4aβ,5,6,7,8,8a-octahydro-5,6α,8aα-trimethyl-1-naphthalenecarboxylic acid
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![(4aR)-5β-[2-(3-Furyl)ethyl]-3,4,4aβ,5,6,7,8,8a-octahydro-5,6α,8aα-trimethyl-1-naphthalenecarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a4a9cc38d0244316b1aa52f10af1bbd2.png "(4aR)-5β-[2-(3-Furyl)ethyl]-3,4,4aβ,5,6,7,8,8a-octahydro-5,6α,8aα-trimethyl-1-naphthalenecarboxylic acid")
(4aR)-5β-[2-(3-Furyl)ethyl]-3,4,4aβ,5,6,7,8,8a-octahydro-5,6α,8aα-trimethyl-1-naphthalenecarboxylic acid
structure -
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CAS No:
1782-65-6
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Formula:
C20H28O3
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Chemical Name:
(4aR)-5β-[2-(3-Furyl)ethyl]-3,4,4aβ,5,6,7,8,8a-octahydro-5,6α,8aα-trimethyl-1-naphthalenecarboxylic acid
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Synonyms:
(-)-Hardwickiic acid;(4aR)-5β-[2-(3-Furyl)ethyl]-3,4,4aβ,5,6,7,8,8a-octahydro-5,6α,8aα-trimethyl-1-naphthalenecarboxylic acid;1-Naphthalenecarboxylic acid, 5-(2-(3-furanyl)ethyl)-3,4,4A,5,6,7,8,8A-octahydro-5,6,8A-trimethyl-, (4ar-(4aalpha,5alpha,6beta,8abeta))-
- Categories:
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CAS No:
(4aR)-5β-[2-(3-Furyl)ethyl]-3,4,4aβ,5,6,7,8,8a-octahydro-5,6α,8aα-trimethyl-1-naphthalenecarboxylic acid Basic Attributes
316.43452
316.203857
Characteristics
50.44000
6.56
1.1±0.1 g/cm3
427.2±18.0 °C at 760 mmHg
212.2±21.2 °C
1.519
4.64E-08mmHg at 25°C
Computed Properties
Molecular Weight:316.4
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:316.20384475
Monoisotopic Mass:316.20384475
Topological Polar Surface Area:50.4
Heavy Atom Count:23
Complexity:497
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(4aR)-5β-[2-(3-Furyl)ethyl]-3,4,4aβ,5,6,7,8,8a-octahydro-5,6α,8aα-trimethyl-1-naphthalenecarboxylic acid
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