Unii-6I1J8IM5I7

Base Information

• Chemical Name: Unii-6I1J8IM5I7
• CAS No.: 7598-48-3
• Molecular Formula: C₂₇H₃₀O₁₃
• Molecular Weight: 562.527
• UNII: 6I1J8IM5I7
• Wikidata: Q104998987
• Mol file: 7598-48-3.mol

Synonyms:6I1J8IM5I7;NSC-403178;UNII-6I1J8IM5I7;7598-48-3;4'-Demethylpicropodophyllin, beta-D-glucopyranoside;Picropodophyllotoxin, 4'-demethyl-, beta-D-glucoside;Picropodophyllin, 4'-demethyl-, beta-D-glucopyranoside;Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 9-(beta-D-glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aS,8aR,9R)-;4'-DEMETHYLPICROPODOPHYLLIN, .BETA.-D-GLUCOPYRANOSIDE;PICROPODOPHYLLOTOXIN, 4'-DEMETHYL-, .BETA.-D-GLUCOSIDE;PICROPODOPHYLLIN, 4'-DEMETHYL-, .BETA.-D-GLUCOPYRANOSIDE;FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 9-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R,5AS,8AR,9R)-

Chemical Property of Unii-6I1J8IM5I7

Chemical Property:

• Boiling Point: 808.2°Cat760mmHg
• Flash Point: 270.4°C
• Density: 1.62g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 562.16864101
• Heavy Atom Count: 40
• Complexity: 892

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C(C(O6)CO)O)O)O
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

Technology Process of Unii-6I1J8IM5I7

There total 1 articles about Unii-6I1J8IM5I7 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:

4′-demethylpodophyllotoxin-4-O-β-D-glucopyranoside (40505-30-4) → 4-demethylpicro-podophyllotoxin 7'-O-β-D-glucopyranoside (7598-48-3)

Guidance literature:

With methanol; ammonium hydroxide;

DOI:10.1002/hlca.19570400525

upstream raw materials:

4′-demethylpodophyllotoxin-4-O-β-D-glucopyranoside