1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-(((2,6-dideoxy-3,4-O-(1-methylethylidene)-beta-D-ribo-hexopyranosyl)oxy)methyl)-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (1R,3aR,4S,4aR,7R,7aR,8aS)-

Base Information

• Chemical Name: 1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-(((2,6-dideoxy-3,4-O-(1-methylethylidene)-beta-D-ribo-hexopyranosyl)oxy)methyl)-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (1R,3aR,4S,4aR,7R,7aR,8aS)-
• CAS No.: 178970-36-0
• Molecular Formula: C29H42O7
• Molecular Weight: 502.6396
• DSSTox Substance ID: DTXSID70939136
• Nikkaji Number: J1.338.234D
• Mol file: 178970-36-0.mol

Synonyms:GM 193663;GM193663

Chemical Property of 1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-(((2,6-dideoxy-3,4-O-(1-methylethylidene)-beta-D-ribo-hexopyranosyl)oxy)methyl)-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (1R,3aR,4S,4aR,7R,7aR,8aS)-

Chemical Property:

• Vapor Pressure: 8.55E-16mmHg at 25°C
• Boiling Point: 597°Cat760mmHg
• Flash Point: 189.9°C
• Density: 1.23g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 502.29305367
• Heavy Atom Count: 36
• Complexity: 988

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC5CC6C(C(O5)C)OC(O6)(C)C
• Isomeric SMILES: C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5C[C@H]6[C@@H]([C@H](O5)C)OC(O6)(C)C