Orobanchoside

Base Information

• Chemical Name: Orobanchoside
• CAS No.: 61276-16-2
• Deprecated CAS: 138215-09-5,145985-09-7
• Molecular Formula: C29H34 O15
• Molecular Weight: 622.57
• Wikidata: Q104390693
• Mol file: 61276-16-2.mol

Synonyms:1',2'-(3,4-dihydroxyphenyl-alpha,beta-dioxoethanol)-4'-O-caffeoyl-O-rhamnopyranosyl-1-3-O-glucopyranoside;crenatoside

Chemical Property of Orobanchoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.703
• Boiling Point: 965.6°C at 760 mmHg
• PKA: 9.31±0.10(Predicted)
• Flash Point: 312.6°C
• PSA: 234.29000
• Density: 1.65g/cm³
• LogP: -0.47940
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 622.18977037
• Heavy Atom Count: 44
• Complexity: 982

Purity/Quality:

CRENATOSIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C3C(OCC(O3)C4=CC(=C(C=C4)O)O)OC(C2OC(=O)C=CC5=CC(=C(C=C5)O)O)CO)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]3[C@H](OCC(O3)C4=CC(=C(C=C4)O)O)O[C@@H]([C@H]2OC(=O)/C=C/C5=CC(=C(C=C5)O)O)CO)O)O)O

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