(3beta,5beta,16beta)-3-((6-Deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-formate

Base Information

• Chemical Name: (3beta,5beta,16beta)-3-((6-Deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-formate
• CAS No.: 6022-99-7
• Molecular Formula: C37H56O15
• Molecular Weight: 740.8315
• European Community (EC) Number: 227-879-5
• DSSTox Substance ID: DTXSID90975637
• Nikkaji Number: J20.338F
• Wikidata: Q82960302
• Mol file: 6022-99-7.mol

Synonyms:Glucoverodoxin;EINECS 227-879-5;6022-99-7;(3beta,5beta,16beta)-3-((6-Deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-formate;(3beta,5beta,16beta)-3-[(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide 16-formate;DTXSID90975637;3-[(6-Deoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-20(22)-enolide

Chemical Property of (3beta,5beta,16beta)-3-((6-Deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-formate

Chemical Property:

• Boiling Point: 886.9°Cat760mmHg
• Flash Point: 270.2°C
• Density: 1.41g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 9
• Exact Mass: 740.36192108
• Heavy Atom Count: 52
• Complexity: 1360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC=O)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O
• Isomeric SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC=O)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O