Isovalerylshikonin

异戊酰紫草素

Also known as: Isovalerylshikonin, Alkannin isovalerate, 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, 5,8-Dihydroxy-2-(1-isovaleryloxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, Compound TCFN95222

Isovalerylshikonin (CAS 52387-14-1) is a compound in the Organic Compounds category listed in the Jingsj chemical database. It has the molecular formula C21H24O6 and a molecular weight of 372.41200 g/mol. It is also known as Alkannin isovalerate, 5,8-Dihydroxy-2-[(R)-1-isovaleryloxy-4-methyl-3-pentenyl]-1,4-naphthalenedione and 3-Methylbutanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalen)-2-yl]-4-methyl-3-pentenyl ester. Key properties include a melting point of 107ºC, a boiling point of 570.1ºC at 760 mmHg, a density of 1.246g/cm3 and a flash point of 198.6ºC. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 52387-14-1
Jingsj CID: J-45780-4
Molecular Formula: C₂₁H₂₄O₆
Chinese Name: 异戊酰紫草素
Molecular Weight: 372.41200 g/mol
Category: Organic Compounds
Last updated: 8/21/2026

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Physicochemical Properties

Melting Point	107ºC
Boiling Point	570.1ºC at 760 mmHg
Density	1.246g/cm3
Flash Point	198.6ºC
Exact Mass	372.15700
PSA	100.90000
LogP	3.71740
Refractive Index	1.578

Activity & Biological Data

Additional Information	[1]. Albreht A, et al. Identification of shikonin and its ester derivatives from the roots of Echium italicum L. J Chromatogr A. 2009 Apr 10;1216(15):3156-62.

Customs & Trade Information

HS Code	2915900090
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Frequently Asked Questions

What is the CAS number of Isovalerylshikonin?

The CAS number of Isovalerylshikonin is 52387-14-1.

What are the molecular formula and molecular weight of Isovalerylshikonin?

Isovalerylshikonin has molecular formula C21H24O6 and molecular weight 372.41200 g/mol.

Data compiled from public chemical databases and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "Isovalerylshikonin (CAS 52387-14-1)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-45780-4 (accessed 2026-10-28).

Data for reference only; verify specifications, grades and regulatory status with suppliers before purchase.