2-Propenoic acid, 2-methyl-, 4-(acetyloxy)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2,7-dioxaazuleno(4,5-b)furan-4-yl ester, (3S-(3alpha,3aalpha,4alpha,9abeta,9balpha))-

Base Information

• Chemical Name: 2-Propenoic acid, 2-methyl-, 4-(acetyloxy)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2,7-dioxaazuleno(4,5-b)furan-4-yl ester, (3S-(3alpha,3aalpha,4alpha,9abeta,9balpha))-
• CAS No.: 41989-32-6
• Molecular Formula: C21H24 O7
• Molecular Weight: 388.41
• DSSTox Substance ID: DTXSID80962137
• Mol file: 41989-32-6.mol

Synonyms:41989-32-6;2-Propenoic acid, 2-methyl-, 4-(acetyloxy)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2,7-dioxaazuleno(4,5-b)furan-4-yl ester, (3S-(3alpha,3aalpha,4alpha,9abeta,9balpha))-;DTXSID80962137;3-(Acetyloxy)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate

Chemical Property of 2-Propenoic acid, 2-methyl-, 4-(acetyloxy)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2,7-dioxaazuleno(4,5-b)furan-4-yl ester, (3S-(3alpha,3aalpha,4alpha,9abeta,9balpha))-

Chemical Property:

• Vapor Pressure: 6.92E-12mmHg at 25°C
• Boiling Point: 543.8°C at 760 mmHg
• Flash Point: 237.2°C
• PSA: 95.97000
• Density: 1.26g/cm³
• LogP: 2.20310
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 388.15220310
• Heavy Atom Count: 28
• Complexity: 862

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C(C3C(C(C1)OC(=O)C(=C)C)C(C(=O)O3)(C)OC(=O)C)C(=CC2=O)C
• Isomeric SMILES: CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)OC(=O)C(=C)C)C(C(=O)O3)(C)OC(=O)C)C(=CC2=O)C