Pavetannin D1

Base Information

• Chemical Name: Pavetannin D1
• CAS No.: 88057-90-3
• Molecular Formula: C₇₅H₆₀O₃₀
• Molecular Weight: 1441.28
• Wikidata: Q104403265
• Mol file: 88057-90-3.mol

Synonyms:Pavetannin D1;Pavetannin D 1;[Epicatechin(4b->8)]2-epicatechin(2b->7,4b->8)epicatechin(4b->8)epicatechin

Chemical Property of Pavetannin D1

Chemical Property:

• PSA: 540.90000
• Density: 1.807±0.06 g/cm3(Predicted)
• LogP: 7.14020
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 24
• Hydrogen Bond Acceptor Count: 30
• Rotatable Bond Count: 8
• Exact Mass: 1440.31694049
• Heavy Atom Count: 105
• Complexity: 2970

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC5=C4C6C(C(O5)(OC7=C(C(=CC(=C67)O)O)C8C(C(OC9=C(C(=CC(=C89)O)O)C1C(C(OC2=CC(=CC(=C12)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O