(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Base Information

• Chemical Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• CAS No.: 143452-01-1
• Molecular Formula: C₄₈H₈₂O₁₈
• Molecular Weight: 947.168
• Wikidata: Q105210553
• Mol file: 143452-01-1.mol

Synonyms:12 beta, 23 beta, 25-trihydroxy-(20S)(24S)-epoxy-dammarane 3-O-alpha-L-rhamnosyl(1----2)-alpha -rhamnosyl(1---- 3)-beta-D-glucoside;12,23,25-trihydroxy-20,24-epoxydammarane-3-O-rhamnosyl-1-2-rhamnosyl-1-3-glucoside;neoalsoside A

Chemical Property of (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Chemical Property:

• Boiling Point: 1013°Cat760mmHg
• Flash Point: 566.4°C
• PSA: 298.14000
• Density: 1.4g/cm³
• LogP: -0.34020
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 946.55011576
• Heavy Atom Count: 66
• Complexity: 1740

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(CC(C3C2(CCC3C4(CC(C(O4)C(C)(C)O)O)C)C)O)C5(C1C(C(CC5)C6(C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)OC8C(C(C(C(O8)C)O)O)O)(C)C)C
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@]2(C3CC[C@@]4(C5C[C@@H](C6C(CC[C@@]6(C5CC(C4C3(C)C)C)C)[C@@]7(C[C@@H]([C@H](O7)C(C)(C)O)O)C)O)C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)CO)O)O)O)O)O