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Acetylshikonin structure, CAS 24502-78-1

Acetylshikonin

CAS Number24502-78-1

Synonyms1'O-acetylshikonin; (1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-penten-1-yl acetate; O-Acetylshikonin; Shikonin acetate; acethylshikonin; (1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate; Acetylshikonin: 1,4-Naphthalenedione,2-[1-(acetyloxy)-4-methyl-3-pentenyl]-5,8-dihydroxy-, (R)-,; Shikonin,acetyl; MFCD00143538; acetyl shikonin; (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-enyl acetate

Molecular FormulaC18H18O6

Molecular Weight330.332

Purity98.00%

Density1.3±0.1 g/cm3

Boiling Point553.2±50.0 °C at 760 mmHg

Melting Point86°C

Flash Point

Appearance

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Cat. No.: 2A-9039503 Purity: 98.00%
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Quality Control of [ 24502-78-1 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number24502-78-1
Catalog No.2A-9039503
Chinese Name乙酰紫草素
Synonyms1'O-acetylshikonin; (1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-penten-1-yl acetate; O-Acetylshikonin; Shikonin acetate; acethylshikonin; (1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate; Acetylshikonin: 1,4-Naphthalenedione,2-[1-(acetyloxy)-4-methyl-3-pentenyl]-5,8-dihydroxy-, (R)-,; Shikonin,acetyl; MFCD00143538; acetyl shikonin; (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-enyl acetate
Molecular FormulaC18H18O6
Molecular Weight330.332
Purity98.00
Density1.3±0.1 g/cm3
Boiling Point553.2±50.0 °C at 760 mmHg
Melting Point86°C
Storage ConditionRoom temperature, dry, sealed
ApplicationAcetylshikonin, derived from comfrey root, has anti-cancer and anti-inflammatory effects. Acetylshikonin is a non-selective cytochrome P450 inhibitor with IC50 values ​​for inhibition of all P450 isof
SMILESCC(=O)OC(CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O
InChIInChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3
InChI KeyWNFXUXZJJKTDOZ-UAVYNJCWSA-N
Transport InfoProduct name: Acetylshikonin
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