Masticadienonic acid
(E)-2-methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-2-enoic acid
Also Known As: Masticadienonic acid|Terebinthone|3-oxolanosta-7,24-dien-26-oic acid|3-Oxotirucalla-7,24-dien-26-oic acid|(E)-2-methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-2-enoic acid|(2E)-2-methyl-6-{2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-14-yl}hept-2-enoic acid|BRK
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.3447 g/mol |
| LogP | 7.6079 |
| 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 | 894.2178 |
Chemical Identifiers
| CAS Number | 514-49-8 |
|---|---|
| SMILES | CC(CC/C=C(\C)/C(=O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C |
Product Overview
Masticadienonic acid (CAS 514-49-8), with molecular formula C30H46O3 and molecular weight 454.3447 g/mol. IUPAC: (E)-2-methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-2-enoic acid.
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