Pavetannin A2

Base Information

• Chemical Name: Pavetannin A2
• CAS No.: 130853-74-6
• Molecular Formula: C30H24 O12
• Molecular Weight: 576.513
• Nikkaji Number: J413.398F
• Wikidata: Q105184987
• Metabolomics Workbench ID: 48316
• Mol file: 130853-74-6.mol

Synonyms:Pavetannin A2;Pavitannin A2;CHEBI:191829;(+)-Epicatechin-(2a-7)(4a-8)-catechin;Ent-Epicatechin-(2a->7,4a->8)-catechin;(1S,5R,6S,13R,21S)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol;(1S,5R,6S,13R,21S)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol;(2R,15S)-3,4-Dihydro-2alpha,8-bis(3,4-dihydroxyphenyl)-8alpha,14alpha-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3beta,5,11,13,15-pentol

Chemical Property of Pavetannin A2

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 576.12677620
• Heavy Atom Count: 42
• Complexity: 986

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](OC2=C1C(=CC3=C2[C@H]4[C@@H]([C@@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O

Technology Process of Pavetannin A2

There total 1 articles about Pavetannin A2 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: 62.0%

C86H74O13 → ent-epicatechin-(4α->8;2α->O->7)-catechin (130853-74-6)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; In water; ethyl acetate; at 20 ℃; for 1h;

DOI:10.1021/acs.orglett.5b00646

Refernces