7-(1,2-Dihydroxyethyl)-1,4a,7,9-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-yl hexopyranoside

Base Information

• Chemical Name: 7-(1,2-Dihydroxyethyl)-1,4a,7,9-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-yl hexopyranoside
• CAS No.: 59219-65-7
• Molecular Formula: C26H44 O8
• Molecular Weight: 484.62
• DSSTox Substance ID: DTXSID70974648
• Wikidata: Q105193230
• Mol file: 59219-65-7.mol

Synonyms:SCHEMBL4402267;DTXSID70974648;AKOS032948563;E80773;7-(1,2-Dihydroxyethyl)-1,4a,7,9-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-yl hexopyranoside

Chemical Property of 7-(1,2-Dihydroxyethyl)-1,4a,7,9-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-yl hexopyranoside

Chemical Property:

• Vapor Pressure: 6.98E-21mmHg at 25°C
• Melting Point: 234 °C
• Boiling Point: 671.1°C at 760 mmHg
• PKA: 12.91±0.70(Predicted)
• Flash Point: 359.7°C
• PSA: 139.84000
• Density: 1.28g/cm³
• LogP: 1.10370
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 484.30361836
• Heavy Atom Count: 34
• Complexity: 759

Purity/Quality:

≥98% ^*data from raw suppliers

Darutoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(C(CCC2(C3C1=CC(CC3)(C)C(CO)O)C)OC4C(C(C(C(O4)CO)O)O)O)C
• Isomeric SMILES: CC1C[C@H]2C(C(CC[C@@]2([C@H]3C1=C[C@@](CC3)(C)[C@H](CO)O)C)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C