CID 14334316

Base Information

• Chemical Name: CID 14334316
• CAS No.: 94617-36-4
• Molecular Formula: C₃₉H₃₂O₈
• Molecular Weight: 628.678
• European Community (EC) Number: 826-196-5
• ChEMBL ID: CHEMBL5194791
• Nikkaji Number: J221.817H
• Wikidata: Q104398753

Synonyms:94617-36-4;(1S,9R,13R,21S)-17-(6-Hydroxy-1-benzofuran-2-yl)-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol;CHEMBL5194791;AKOS040762074

Chemical Property of CID 14334316

Chemical Property:

• PSA: 121.75000
• LogP: 8.57780
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 628.20971797
• Heavy Atom Count: 47
• Complexity: 1270

Purity/Quality:

97.0% ^*data from raw suppliers

MulberrofuranK 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C9C(=C(C=C8)O)C=CC(O9)(C)C
• Isomeric SMILES: CC1=C[C@@H]2[C@@H]3[C@@H](C1)C4=C(C=C(C=C4)O)O[C@@]3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C9C(=C(C=C8)O)C=CC(O9)(C)C

Technology Process of CID 14334316

There total 3 articles about CID 14334316 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

chalcomoracin (76472-89-4) → [(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-benzofuran-2-yl)-phenyl]-6-(2,4-dihydroxy-phenyl)-4-methyl-cyclohex-3-enyl]-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-methanone (94617-39-7) + mulberrofuran K (94617-36-4) + mulberrofuran O (94617-38-6)

Guidance literature:

With palladium dichloride; In methanol; water; for 4h; Ambient temperature;

DOI:10.1248/cpb.33.5294

Reference yield:

[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-benzofuran-2-yl)-phenyl]-6-(2,4-dihydroxy-phenyl)-4-methyl-cyclohex-3-enyl]-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-methanone (94617-39-7) → mulberrofuran K (94617-36-4)

Guidance literature:

With sulfuric acid; In ethanol; for 1.75h; Irradiation;

DOI:10.1248/cpb.33.5294

Reference yield:

mulberrofuran F (89200-00-0) → (3aR,8aS,13bR,13cS)-6-(6-Hydroxy-benzofuran-2-yl)-8a-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-8,9-dioxa-benzo[fg]naphthacene-4,11-diol (101899-58-5) + mulberrofuran K (94617-36-4)

Guidance literature:

With palladium dichloride; In methanol; water; for 4h; Ambient temperature;

DOI:10.1248/cpb.33.5294

upstream raw materials:

chalcomoracin

[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-benzofuran-2-yl)-phenyl]-6-(2,4-dihydroxy-phenyl)-4-methyl-cyclohex-3-enyl]-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-methanone

mulberrofuran F

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