CAS 52438-12-7|Isobutylshikonin

Introduction：Basic information about CAS 52438-12-7|Isobutylshikonin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Isobutylshikonin BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Isobutylshikonin
CAS Number	52438-12-7	Molecular Weight	358.385
Density	1.3±0.1 g/cm3	Boiling Point	565.2±45.0 °C at 760 mmHg
Molecular Formula	C₂₀H₂₂O₆	Melting Point	88ºC
MSDS	/	Flash Point	295.6±28.7 °C

Names

Name	isobutyrylshikonin
Synonym	More Synonyms

Isobutylshikonin BiologicalActivity

Description	Isobutylshikonin is a kind of shikonin pigments from hairy root culture of Lithospermum canescens[1].
Related Catalog	Research Areas >>OthersSignaling Pathways >>Others >>Others
References	[1]. H Damianakos, et al. Shikonin pigments from hairy root culture of Lithospermum canescens. Planta Med 2007; 73 - P_185.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	565.2±45.0 °C at 760 mmHg
Melting Point	88ºC
Molecular Formula	C₂₀H₂₂O₆
Molecular Weight	358.385
Flash Point	295.6±28.7 °C
Exact Mass	358.141632
PSA	100.90000
LogP	4.27
Vapour Pressure	0.0±1.6 mmHg at 25°C
Index of Refraction	1.577
InChIKey	BVRYLTBIGIAADD-UHFFFAOYSA-N
SMILES	CC(C)=CCC(OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O

Safety Information

Hazard Codes	Xi

Synonyms

(R)-1-(1,4-Dihydro-5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methyl-3-pentenyl=isobutyrate

2-Methylpropanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalene)-2-yl]-4-methyl-3-pentenyl ester

1-(2,6-Diphenyltetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol (non-preferred name)

1-(2,6-Diphenyltetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,2-ethanediol

5,8-DIHYDROXY-2-(1-ISOBUTYRYLOXY-4-METHYL-3-PENTENYL)-1,4-NAPHTHALENEDIONE

2-[1-(Isobutyryloxy)-4-methyl-3-pentenyl]-5,8-dihydroxy-1,4-naphthoquinone

Isobutylshikonin

(1,3:2,4) Dibenzylidene sorbitol (DBS)

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