Elemadienonic acid
6-methyl-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-5-enoic acid
Also Known As: beta-Elemonic acid|Elemadienonic acid|Pinicolic acid|b-Elemonic acid|D-Elemic acid||A-Elemonic Acid|BETA-ELEMONICACID|Beta-Elemonic acid [M+H]+|3-Oxotirucalla-8,24-dien-21-oic acid|2-{3A,6,6,9A,11A-PENTAMETHYL-7-OXO-1H,2H,3H,4H,5H,5AH,8H,9H,10H,11H-CYCLOPENTA[A]PHENANTHREN-1-YL}-6-METHYLHEPT-5-ENOIC ACID|6-methyl-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-5-enoic acid
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.3447 g/mol |
| LogP | 7.752 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.3447 |
| Monoisotopic Mass | 454.3447 |
| Heavy Atoms | 33 |
| Complexity | 903.5025 |
Chemical Identifiers
| CAS Number | 28282-25-9 |
|---|---|
| SMILES | CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C |
Product Overview
Elemadienonic acid (CAS 28282-25-9), with molecular formula C30H46O3 and molecular weight 454.3447 g/mol. IUPAC: 6-methyl-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-5-enoic acid.