Chem
J-GLOBAL ID:200907020306020740
Nikkaji number:J392.400I
β-Hydroxyisovalerylshikonin
β-ヒドロキシイソバレリルシコニン
Download MOL file
Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C21 H24 O7
Molecular formula furigana:
C21-H24-O7
Molecular weight:
388.416
InChI:
InChI=1S/C21H24O7/c1-11(2)5-8-16(28-17(25)10-21(3,4)27)12-9-15(24)18-13(22)6-7-14(23)19(18)20(12)26/h5-7,9,16,22-23,27H,8,10H2,1-4H3/t16-/m1/s1
InChI key:
MXANJRGHSFELEJ-MRXNPFEDSA-N
SMILES:
CC(=CC[C@@H](OC(=O)CC(C)(C)O)C1=CC(=O)c2c(O)ccc(O)c2C1=O)C
Systematic name (5):
5,8-ジヒドロキシ-2-[(R)-1-[(3-ヒドロキシ-3-メチルブタノイル)オキシ]-4-メチル-3-ペンテニル]-1,4-ナフタレンジオン
3-ヒドロキシ-3-メチルブタン酸(R)-1-[(1,4-ジオキソ-5,8-ジヒドロキシ-1,4-ジヒドロナフタレン)-2-イル]-4-メチル-3-ペンテニル
3-ヒドロキシ-3-メチルブタン酸(R)-1-(1,4-ジオキソ-5,8-ジヒドロキシ-1,4-ジヒドロナフタレン-2-イル)-4-メチル-3-ペンテニル
(1R)-1-(5,8-ジヒドロキシ-1,4-ジオキソ-1,4-ジヒドロナフタレン-2-イル)-4-メチルペンタ-3-エン-1-イル 3-ヒドロキシ-3-メチルブタノアート
(1R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-hydroxy-3-methylbutanoate
Other name (6):
β-Hydroxyisovalerylshikonin
β-ヒドロキシイソバレリルシコニン
5,8-Dihydroxy-2-[(R)-1-[(3-hydroxy-3-methylbutanoyl)oxy]-4-methyl-3-pentenyl]-1,4-naphthalenedione
β-HIVS
3-Hydroxy-3-methylbutanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalene)-2-yl]-4-methyl-3-pentenyl ester
3-Hydroxy-3-methylbutanoic acid (R)-1-(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalene-2-yl)-4-methyl-3-pentenyl ester
Show all
CAS registry number:
7415-78-3
Thsaurus map:
Return to Previous Page