CAS 5162-01-6

(1S)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-methylbut-2-enoate

Description:

The chemical substance known as (1S)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-methylbut-2-enoate, with the CAS number 5162-01-6, is a complex organic compound characterized by its unique structural features. It contains a naphthalene derivative with multiple functional groups, including hydroxyl (-OH) and carbonyl (C=O) groups, which contribute to its reactivity and potential biological activity. The presence of the dioxo moiety suggests it may participate in various chemical reactions, including oxidation and reduction processes. The compound also features a pentene and an ester functional group, indicating potential for further chemical modifications. Its stereochemistry, denoted by the (1S) configuration, implies specific spatial arrangements that can influence its interactions and properties. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and organic synthesis. However, detailed studies would be necessary to fully elucidate its behavior and applications in various fields.

Formula: C₂₁H₂₂O₆

InChI: InChI=1/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1

InChI key: InChIKey=BATBOVZTQBLKIL-UHFFFAOYSA-N

SMILES: O=C1C=2C(C(=O)C=C1C(OC(C=C(C)C)=O)CC=C(C)C)=C(O)C=CC2O

Synonyms:

• 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester
• 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester
• 2-butenoic acid, 3-methyl-, (1S)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester
• Arnebin 1
• Arnebin I
• Crotonic acid, 3-methyl-, ester with 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone
• Dimethylacrylalkannin, β,β-
• beta,beta-Dimethylacrylalkannin
• (Rac)-Arnebin 1
• Alkannin beta,beta-dimethylacrylate

(Rac)-Arnebin 1

CAS: 5162-01-6

(Rac)-Arnebin 1

Purity: ≥98%

Molecular weight: 370.4g/mol

Ref: 54-BUP18038

Arnebin 1

CAS: 5162-01-6

(Rac)-Arnebin 1 (beta, beta-dimethylacrylshikonin) has anti-tumor, anti-inflammatory, anti-immune deficiency and protecting liver.

Formula: C₂₁H₂₂O₆

Purity: 98.76% - 99.81%

Color and Shape: Solid

Molecular weight: 370.396

Ref: TM-T4586