Carnosifloside VI

Base Information

• Chemical Name: Carnosifloside VI
• CAS No.: 109985-95-7
• Molecular Formula: C48H80 O18
• Molecular Weight: 945.14
• DSSTox Substance ID: DTXSID70474618
• Nikkaji Number: J581.081G
• Wikidata: Q27106074
• Mol file: 109985-95-7.mol

Synonyms:Carnosifloside VI;109985-95-7;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E,6R)-6-[(3S,8S,9R,10R,11R,13R,14S,17R)-11-hydroxy-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol;CHEBI:3427;DTXSID70474618;C08792;Q27106074;(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(6R)-6-[(3S,8S,9R,10S,11;(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(6R)-6-[(3S,8S,9R,10S,11R,13R,14S,17R)-11-hydroxy-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahy

Chemical Property of Carnosifloside VI

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1026.9°Cat760mmHg
• PKA: 12.90±0.70(Predicted)
• Flash Point: 574.9°C
• PSA: 298.14000
• Density: 1.39g/cm³
• LogP: -0.24920
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 14
• Exact Mass: 944.53446570
• Heavy Atom Count: 66
• Complexity: 1710

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC=C(C)COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C3CCC4(C3(CC(C5(C4CC=C6C5CCC(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)O)C)C
• Isomeric SMILES: C[C@H](CC/C=C(\C)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)[C@H]3CC[C@@]4([C@@]3(C[C@H]([C@@]5([C@H]4CC=C6[C@H]5CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)C)C

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