Dianoside A

Base Information

• Chemical Name: Dianoside A
• CAS No.: 91652-87-8
• Molecular Formula: C42H66O15
• Molecular Weight: 810.9644
• DSSTox Substance ID: DTXSID60919609
• Nikkaji Number: J2.767.455K
• Wikidata: Q27106398
• Mol file: 91652-87-8.mol

Synonyms:Dianoside A;91652-87-8;(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid;C08941;CHEBI:4490;DTXSID60919609;Q27106398;1-O-[3-(Hexopyranosyloxy)-23-hydroxy-23,28-dioxoolean-12-en-28-yl]hexopyranose

Chemical Property of Dianoside A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 905°Cat760mmHg
• Flash Point: 265.6°C
• Density: 1.4g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 810.44017139
• Heavy Atom Count: 57
• Complexity: 1590

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C
• Isomeric SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

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Get Best Price for 91652-87-8 (3S,4S,4aR,6aR,6bS,8aS,12aR,14aS,14bR)-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

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