Schisantherin D

Base Information

• Chemical Name: Schisantherin D
• CAS No.: 64917-82-4
• Molecular Formula: C29H28 O9
• Molecular Weight: 520.536
• UNII: 9DKR8Q4EZC
• DSSTox Substance ID: DTXSID901316924
• Nikkaji Number: J305.300H
• Wikidata: Q27272401
• Metabolomics Workbench ID: 137583
• ChEMBL ID: CHEMBL475880
• Mol file: 64917-82-4.mol

Synonyms:schisantherin D

Chemical Property of Schisantherin D

Chemical Property:

• PSA: 101.91000
• LogP: 4.66950
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 520.17333247
• Heavy Atom Count: 38
• Complexity: 848

Purity/Quality:

≥95% ^*data from raw suppliers

SchisantherinD 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C(C1(C)O)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3
• Isomeric SMILES: C[C@H]1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4[C@@H]([C@@]1(C)O)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3