Valerenal
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Valerenal
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CAS No:
4176-16-3
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Formula:
C15H22O
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Chemical Name:
Valerenal
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Synonyms:
2-Propenal,3-[(4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-,(2E)-;Indene-4-acrolein,2,4,5,6,7,7a-hexahydro-α,3,7-trimethyl-;2-Propenal,3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-,[4S-[4α(E),7β,7aα]]-;(2E)-3-[(4S,7R,7aR)-2,4,5,6,7,7a-Hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-2-propenal;Valerenal;Nardal;1019705-70-4;2407942-12-3
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CAS No:
Valerenal Use and Manufacturing
Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]
Computed Properties
Molecular Weight:218.33
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:218.167065321
Monoisotopic Mass:218.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:348
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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