1H-Cycloundec(d)isoindole-1,11,12,15(2H)-tetrone, 3,3a,4,6a,9,10,13,14-octahydro-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,15aS)-

Base Information

• Chemical Name: 1H-Cycloundec(d)isoindole-1,11,12,15(2H)-tetrone, 3,3a,4,6a,9,10,13,14-octahydro-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,15aS)-
• CAS No.: 72363-48-5
• Molecular Formula: C24H33 N O4
• Molecular Weight: 0
• Nikkaji Number: J157.898G
• Mol file: 72363-48-5.mol

Synonyms:Aspochalasin A;UNII-6PGL7Q6HDT;6PGL7Q6HDT;72363-48-5;1H-Cycloundec(d)isoindole-1,11,12,15(2H)-tetrone, 3,3a,4,6a,9,10,13,14-octahydro-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,15aS)-;Asposterol

Chemical Property of 1H-Cycloundec(d)isoindole-1,11,12,15(2H)-tetrone, 3,3a,4,6a,9,10,13,14-octahydro-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,15aS)-

Chemical Property:

• Vapor Pressure: 2.48E-14mmHg at 25°C
• Boiling Point: 599.5°C at 760 mmHg
• Flash Point: 180.5°C
• PSA: 83.80000
• Density: 1.13g/cm³
• LogP: 3.84920
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 399.24095853
• Heavy Atom Count: 29
• Complexity: 806

Purity/Quality:

95%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C(NC(=O)C23C(C=C(CCC(=O)C(=O)CCC3=O)C)C=C1C)CC(C)C
• Isomeric SMILES: C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CCC(=O)C(=O)CCC3=O)/C)C=C1C)CC(C)C