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3-Methylbutanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalen)-2-yl]-4-methyl-3-pentenyl ester
ISOVALERYLSHIKONIN
CAS: 52387-14-1
Molecular Formula: C21H24O6
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3-Methylbutanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalen)-2-yl]-4-methyl-3-pentenyl ester
3-Methylbutanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalen)-2-yl]-4-methyl-3-pentenyl ester -
Names and Identifiers
Name
ISOVALERYLSHIKONIN
Synonyms
ISOVALERYLSHIKONIN
Alkannin Impurity 3
5,8-DIHYDROXY-2-(1-ISOVALERYLOXY-4-METHYL-3-PENTENYL)-1,4-NAPHTHALENEDIONE
5,8-Dihydroxy-2-[(R)-1-isovaleryloxy-4-methyl-3-pentenyl]-1,4-naphthalenedione
3-Methylbutanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalen)-2-yl]-4-methyl-3-pentenyl ester
Butanoic acid, 3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester
CAS
52387-14-1
3-Methylbutanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalen)-2-yl]-4-methyl-3-pentenyl ester -
Physico-chemical Properties
Molecular Formula
C21H24O6
Molar Mass
372.41
Density
1.246±0.06 g/cm3(Predicted)
Melting Point
107 °C
Boling Point
570.1±50.0 °C(Predicted)
pKa
7.08±0.20(Predicted)
3-Methylbutanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalen)-2-yl]-4-methyl-3-pentenyl ester structural formula
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3-Methylbutanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalen)-2-yl]-4-methyl-3-pentenyl ester
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