Isovalerylshikonin
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Isovalerylshikonin
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CAS No:
52387-14-1
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Formula:
C21H24O6
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Chemical Name:
Isovalerylshikonin
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Synonyms:
Butanoic acid,3-methyl-,(1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester;Butanoic acid,3-methyl-,1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester,(R)-;Butanoic acid,3-methyl-,(1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester;Isovalerylshikonin;(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-methylbutanoate
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CAS No:
Computed Properties
Molecular Weight:372.4
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:372.15728848
Monoisotopic Mass:372.15728848
Topological Polar Surface Area:101
Heavy Atom Count:27
Complexity:656
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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