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CAS 87562-78-5

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Isobutyryl alkannin

Description:
Isobutyryl alkannin, with the CAS number 87562-78-5, is a natural compound derived from the roots of the Alkanna tinctoria plant, commonly known for its use as a dye and in traditional medicine. This compound belongs to the class of naphthoquinones, characterized by a naphthalene ring structure with a quinone functional group. Isobutyryl alkannin exhibits a deep red color, which is attributed to its conjugated double bond system, making it useful as a natural colorant in cosmetics and food products. It possesses antioxidant properties, which may contribute to its potential health benefits, including anti-inflammatory and antimicrobial effects. Additionally, isobutyryl alkannin is soluble in organic solvents but has limited solubility in water, which influences its applications in various formulations. Its stability can be affected by light and pH, necessitating careful handling and storage. Overall, isobutyryl alkannin is valued for both its aesthetic and therapeutic properties, making it a subject of interest in both the cosmetic and pharmaceutical industries.
Formula:C20H22O6
InChI:InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m0/s1
InChI key:InChIKey=BVRYLTBIGIAADD-INIZCTEOSA-N
SMILES:O=C1C=2C(C(=O)C=C1[C@@H](OC(C(C)C)=O)CC=C(C)C)=C(O)C=CC2O
Synonyms:
  • Propanoic acid, 2-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)-
  • Propanoic acid, 2-methyl-, (1S)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester
  • Isobutyryl alkannin
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