[(2S,3S,4R,5R,6R)-2-acetyl-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Base Information

• Chemical Name: [(2S,3S,4R,5R,6R)-2-acetyl-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
• CAS No.: 94492-22-5
• Molecular Formula: C31H38O15
• Molecular Weight: 638.623
• Mol file: 94492-22-5.mol

Synonyms:BRN 4898592;94492-22-5;[(2S,3S,4R,5R,6R)-2-acetyl-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;Glucopyranoside, 2-(3-methoxy-4-hydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L- mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-;C30H38O15;C30-H38-O15

Chemical Property of [(2S,3S,4R,5R,6R)-2-acetyl-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Chemical Property:

• Vapor Pressure: 2.74E-33mmHg at 25°C
• Boiling Point: 881.6°Cat760mmHg
• Flash Point: 281.3°C
• PSA: 231.13000
• Density: 1.51g/cm³
• LogP: -0.11620
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 650.22107050
• Heavy Atom Count: 46
• Complexity: 1030

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

CistanosideC ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)C(=O)C)OCCC4=CC(=C(C=C4)O)OC)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)C(=O)C)OCCC4=CC(=C(C=C4)O)OC)O)O)O)O