[(4aS,4bR,6aS,7R,10aS,10bR,12aS)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate

Base Information

• Chemical Name: [(4aS,4bR,6aS,7R,10aS,10bR,12aS)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
• CAS No.: 53527-28-9
• Molecular Formula: C27H40 O4
• Molecular Weight: 428.6041
• DSSTox Substance ID: DTXSID20968274
• Mol file: 53527-28-9.mol

Synonyms:7,8-Diformyl-1,1,4a,6a,10b-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydrochrysen-6-yl acetate;DTXSID20968274;[(4aS,4bR,6aS,7R,10aS,10bR,12aS)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate

Chemical Property of [(4aS,4bR,6aS,7R,10aS,10bR,12aS)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate

Chemical Property:

• Vapor Pressure: 2.46E-10mmHg at 25°C
• Boiling Point: 505.3 °C at 760 mmHg
• Flash Point: 213.4 °C
• PSA: 80.67000
• Density: 1.09 g/cm³
• LogP: 4.26210
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 428.29265975
• Heavy Atom Count: 31
• Complexity: 812

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2C3(CCCC(C3CCC2(C4C1(C(C(=CC4)C=O)C=O)C)C)(C)C)C
• Isomeric SMILES: CC(=O)OC1C[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2([C@H]4[C@]1([C@H](C(=CC4)C=O)C=O)C)C)(C)C)C