methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a-(benzoyloxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

Base Information

• Chemical Name: methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a-(benzoyloxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
• CAS No.: 102637-02-5
• Molecular Formula: C40H56 O6
• Molecular Weight: 632.88
• DSSTox Substance ID: DTXSID00907964
• Wikidata: Q82877293
• Mol file: 102637-02-5.mol

Synonyms:methyl helicterate

Chemical Property of methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a-(benzoyloxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

Chemical Property:

• Vapor Pressure: 1.57E-16mmHg at 25°C
• Boiling Point: 645.1°Cat760mmHg
• Flash Point: 260.5°C
• Density: 1.13g/cm³
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 632.40768950
• Heavy Atom Count: 46
• Complexity: 1230

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)COC(=O)C6=CC=CC=C6)C)(C)C)OC(=O)C)C)C(=O)OC
• Isomeric SMILES: CC(=C)[C@@H]1CC[C@]2([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)COC(=O)C6=CC=CC=C6)C)(C)C)OC(=O)C)C)C(=O)OC