(1Bs,4s,7ar,7br,8r,9r)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-4,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1h-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 12-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)dodecanoate

Base Information

• Chemical Name: (1Bs,4s,7ar,7br,8r,9r)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-4,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1h-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 12-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)dodecanoate
• CAS No.: 98897-16-6
• Molecular Formula: C48H66 N2 O11 S
• Molecular Weight: 879.10944
• DSSTox Substance ID: DTXSID10276299
• Mol file: 98897-16-6.mol

Synonyms:(1bs,4s,7ar,7br,8r,9r)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-4,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1h-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 12-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)dodecanoate;DTXSID10276299;Dodecanoic acid, 12-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-, 9a-(acetyloxy)-3-((acetyloxy)methyl)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Chemical Property of (1Bs,4s,7ar,7br,8r,9r)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-4,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1h-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 12-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)dodecanoate

Chemical Property:

• Vapor Pressure: 1.19E-34mmHg at 25°C
• Boiling Point: 897.6°Cat760mmHg
• Flash Point: 496.6°C
• Density: 1.28g/cm³
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 22
• Exact Mass: 878.43873210
• Heavy Atom Count: 62
• Complexity: 1840

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4C(C(=C3)COC(=O)C)O)C)O)OC(=O)C)OC(=O)CCCCCCCCCCCNS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C
• Isomeric SMILES: C[C@@H]1[C@H](C2(C(C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)C4[C@@H](C(=C3)COC(=O)C)O)C)O)OC(=O)C)OC(=O)CCCCCCCCCCCNS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C