Limonilic acid
2-[6-(furan-3-yl)-5,12,16,16-tetramethyl-8,13-dioxo-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid
Also Known As: LIMONILIC ACID|Limonoic acid,19-epoxy-, 16,17-lactone|Limonoic acid, 19-deoxy-6,19-epoxy-, 16,17-lactone|19-Deoxy-6beta,19-epoxylimonoic acid 16,17-lactone|2-[6-(furan-3-yl)-5,12,16,16-tetramethyl-8,13-dioxo-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid|2-(1-(furan-3-yl)-4b,7,7,11a-tetramethyl-3,5-dioxododecahydro-9H-6,9a-(epoxymethano)isobenzofuro[5,4-f]oxireno[2,3-d]isochromen-9-yl)acetic acid|[9-(Furan-3-yl)-3,3,5a,9a-tetramethyl-5,7-dioxododecahydro-1H-4,11b-(epoxymethano)furo[3',4':5,6]naphtho[2,1-c]oxireno[d]pyran-1-yl]acetic acid
| Molecular Formula | C26H30O9 |
|---|---|
| Molecular Weight | 486.189 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.189 |
| Monoisotopic Mass | 486.189 |
| Heavy Atoms | 35 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 751-49-5 |
|---|---|
| SMILES | CC1(C2C3C(=O)C4(C(C2(CO3)C(O1)CC(=O)O)CCC5(C46C(O6)C(=O)OC5C7=COC=C7)C)C)C |
| InChIKey | WCUZRQHRKOLHQW-UHFFFAOYSA-N |
Product Overview
Limonilic acid (CAS 751-49-5), with molecular formula C26H30O9 and molecular weight 486.189 g/mol. IUPAC: 2-[6-(furan-3-yl)-5,12,16,16-tetramethyl-8,13-dioxo-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid.
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