(E)-3-Methyl-5-[(1R)-1,2,3,4,4aα,5,6,7-octahydro-1,2α,5,5-tetramethyl-7-oxonaphthalen-1α-yl]-2-pentenoic acid
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![(E)-3-Methyl-5-[(1R)-1,2,3,4,4aα,5,6,7-octahydro-1,2α,5,5-tetramethyl-7-oxonaphthalen-1α-yl]-2-pentenoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3dd250219d224fc8bde8ae511339ab90.png "(E)-3-Methyl-5-[(1R)-1,2,3,4,4aα,5,6,7-octahydro-1,2α,5,5-tetramethyl-7-oxonaphthalen-1α-yl]-2-pentenoic acid")
(E)-3-Methyl-5-[(1R)-1,2,3,4,4aα,5,6,7-octahydro-1,2α,5,5-tetramethyl-7-oxonaphthalen-1α-yl]-2-pentenoic acid
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CAS No:
72023-10-0
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Formula:
C20H30O3
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Chemical Name:
(E)-3-Methyl-5-[(1R)-1,2,3,4,4aα,5,6,7-octahydro-1,2α,5,5-tetramethyl-7-oxonaphthalen-1α-yl]-2-pentenoic acid
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Synonyms:
(E)-3-Methyl-5-[(1R)-1,2,3,4,4aα,5,6,7-octahydro-1,2α,5,5-tetramethyl-7-oxonaphthalen-1α-yl]-2-pentenoic acid;Relhaniaic acid
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CAS No:
(E)-3-Methyl-5-[(1R)-1,2,3,4,4aα,5,6,7-octahydro-1,2α,5,5-tetramethyl-7-oxonaphthalen-1α-yl]-2-pentenoic acid Basic Attributes
318.4504
318.219
Computed Properties
Molecular Weight:318.4
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:318.21949481
Monoisotopic Mass:318.21949481
Topological Polar Surface Area:54.4
Heavy Atom Count:23
Complexity:567
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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