Introduction：Basic information about CAS 52387-14-1|Isovalerylshikonin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isovalerylshikonin |
|---|
| CAS Number | 52387-14-1 | Molecular Weight | 372.41200 |
|---|
| Density | 1.246g/cm3 | Boiling Point | 570.1ºC at 760 mmHg |
|---|
| Molecular Formula | C21H24O6 | Melting Point | 107ºC |
|---|
| MSDS | / | Flash Point | 198.6ºC |
|---|
Names
| Name | [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate |
|---|
| Synonym | More Synonyms |
|---|
Isovalerylshikonin BiologicalActivity
| Description | Isovalerylshikonin (IVS) is a shikonin pigment is identified in the root epidermis of Echium italicum L[1]. |
|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
|---|
| References | [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. |
|---|
Chemical & Physical Properties
| Density | 1.246g/cm3 |
|---|
| Boiling Point | 570.1ºC at 760 mmHg |
|---|
| Melting Point | 107ºC |
|---|
| Molecular Formula | C21H24O6 |
|---|
| Molecular Weight | 372.41200 |
|---|
| Flash Point | 198.6ºC |
|---|
| Exact Mass | 372.15700 |
|---|
| PSA | 100.90000 |
|---|
| LogP | 3.71740 |
|---|
| Index of Refraction | 1.578 |
|---|
| InChIKey | UTOUNDHZJFIVPK-UHFFFAOYSA-N |
|---|
| SMILES | CC(C)=CCC(OC(=O)CC(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O |
|---|
Safety Information
Customs
| 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% |
|---|
Synonyms
| ALKANNIN,ISOVALIRIC ACID ISVL |
| Alkannin isovalerate |
| (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthyl)-4-methyl-3-pentenyl isovalerate |
| I0422 |
| Isovalerylshikonin |
| UTOUNDHZJFIVPK-UHFFFAOYSA |
