Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)

Base Information

• Chemical Name: Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
• CAS No.: 139973-20-9
• Molecular Formula: C42H52N2O10
• Molecular Weight: 744.8697
• DSSTox Substance ID: DTXSID80930679
• Mol file: 139973-20-9.mol

Synonyms:139973-20-9;Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1);DTXSID80930679;C20H18O8.C22H34N2O2;LS-49807;C20-H18-O8.C22-H34-N2-O2;2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hydrogen nonan-3-ylcarbonimidate (1/1)

Chemical Property of Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)

Chemical Property:

• Vapor Pressure: 1.47E-16mmHg at 25°C
• Boiling Point: 626.5°Cat760mmHg
• Flash Point: 223.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 18
• Exact Mass: 744.36219586
• Heavy Atom Count: 54
• Complexity: 1000

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(CC)NC(=O)OC1=CC2=C(CC3C2(CCN3)C)C=C1.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
• Isomeric SMILES: CCCCCCC(CC)NC(=O)OC1=CC2=C(C[C@@H]3[C@]2(CCN3)C)C=C1.CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O