Diabietic acid
dimethyl 9,22-dimethyl-13,26-di(propan-2-yl)heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-2(28),15(27)-diene-5,18-dicarboxylate
Also Known As: Diabietic acid|Dibenzo(fg,qr)pentacene-7,15-dicarboxylic acid, 1,2,3,3a,3b,4,5,6,7,7a,8,8b,9,10,11,11a,11b,12,13,14,15,15a,16,16b-tetracosahydro-1,9-diisopropyl-3b,7,11b,15-tetramethyl-|dimethyl 3b,11b-dimethyl-1,9-di(propan-2-yl)-1,2,3,3a,3b,4,5,6,7,7a,8,8b,9,10,11,11a,11b,12,13,14,15,15a,16,16b-tetracosahydrodibenzo[fg,qr]pentacene-7,15-dicarboxylate
| Molecular Formula | C40H60O4 |
|---|---|
| Molecular Weight | 604.44916 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 604.44916 |
| Monoisotopic Mass | 604.44916 |
| Heavy Atoms | 44 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 33476-75-4 |
|---|---|
| SMILES | CC(C)C1CCC2C3=C(CC4C2(CCCC4C(=O)OC)C)C5C(CCC6C5=C(C13)CC7C6(CCCC7C(=O)OC)C)C(C)C |
| InChIKey | YUBLEJQUORUUER-UHFFFAOYSA-N |
Product Overview
Diabietic acid (CAS 33476-75-4), with molecular formula C40H60O4 and molecular weight 604.44916 g/mol. IUPAC: dimethyl 9,22-dimethyl-13,26-di(propan-2-yl)heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-2(28),15(27)-diene-5,18-dicarboxylate.