[(3S,6S,10R,13R,17R)-6-[4-[5-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-[(2R)-6-methyl-4-oxoheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Base Information

• Chemical Name: [(3S,6S,10R,13R,17R)-6-[4-[5-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-[(2R)-6-methyl-4-oxoheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
• CAS No.: 88434-24-6
• Molecular Formula: C₆₂H₁₀₁O₃₁S*Na
• Molecular Weight: 1397.52
• DSSTox Substance ID: DTXSID30420035
• Wikidata: Q82231288
• Mol file: 88434-24-6.mol

Synonyms:88434-24-6;NSC382397;DTXSID30420035

Chemical Property of [(3S,6S,10R,13R,17R)-6-[4-[5-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-[(2R)-6-methyl-4-oxoheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.51g/cm³
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 20
• Exact Mass: 1374.6125776
• Heavy Atom Count: 94
• Complexity: 2680

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)OC2C(C(OC(C2O)OC3C(C(C(OC3OC4COC(C(C4O)OC5C(C(C(C(O5)C)O)O)O)OC6C(C(OC(C6O)OC7C=C8C9CCC(C9(CCC8C1(C7CC(CC1)OS(=O)(=O)O)C)C)C(C)CC(=O)CC(C)C)C)O)CO)O)O)C)O)O)O)O
• Isomeric SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(C(OC3OC4COC(C(C4O)OC5C(C(C(C(O5)C)O)O)O)OC6C(C(OC(C6O)O[C@H]7C=C8C9CC[C@@H]([C@]9(CCC8[C@@]1(C7C[C@H](CC1)OS(=O)(=O)O)C)C)[C@H](C)CC(=O)CC(C)C)C)O)CO)O)O)C)O)O)O)O