Products 52438-12-7

CAS 52438-12-7 appears in our catalog under these names: Isobutylshikonin, Isobutylshikonin/ 98.75% (existing batch purity), Isobutylshikonin, 99.93%, (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl isobutyrate. Offered by: GLPBio, TargetMol, MedChemExpress, Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 5 mg, 10 mg, 25 mg, 50mg.

Isobutylshikonin
GLPBio
  • size: 1mg, 5mg
  • Variants: 2
from 676.61
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Isobutylshikonin/ 98.75% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 4
from 731.05
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Isobutylshikonin, 99.93%
MedChemExpress
  • size: 5 mg, 10 mg, 25 mg
  • Variants: 3
from 1081.31
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(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl isobutyrate
Chemat
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 6
from 395.60
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Structural formula: {0} (CAS {1})

Isobutylshikonin is a hydroxy-1,4-naphthoquinone.

Source: ChEBI

Identity
Molecular formulaC20H22O6
Molecular weight358.4 g/mol
IUPAC name[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate
InChIKeyBVRYLTBIGIAADD-MRXNPFEDSA-N
SMILESCC(C)C(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O

Computed by PubChem (NCBI)

Synonyms: Isobutyrylshikonin, Isobutylshikonin, orb1297533
Related forms of this compound
[(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate C20H22O6
Isomers (same molecular formula)
(1S,2S,3S,5S,8R,11R,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione C20H22O6
(6R,8R,8aR)-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol C20H22O6
ethyl 4-[2-(4-ethoxycarbonylphenoxy)ethoxy]benzoate C20H22O6
(1S,2S,3S,5S,8S,11R,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione C20H22O6
1-[4-hydroxy-3-(2-hydroxy-3-methoxy-5-propanoylphenyl)-5-methoxyphenyl]propan-1-one C20H22O6
(4aR,6S,7S,8R,8aS)-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol C20H22O6
(4aR,6R,7R,8R,8aS)-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol C20H22O6
(3S,4S)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one C20H22O6
(4aR,6S,7R,8R,8aR)-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol C20H22O6
(1S,2S,4S,5S,7S,9S,11S,13S)-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-ene-8,17-dione C20H22O6
4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol C20H22O6