Ohchinolid A
[(1R,2R,6S,11R,12S,13R,16R,17R,19S,20R)-17,19-diacetyloxy-8-(furan-3-yl)-1,9,11,16-tetramethyl-4-oxo-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] benzoate
Also Known As: Ohchinolid A|2H,5H-Cyclopent(a)isobenzofuro(7,1-gh)(3)benzoxepin-5-one,7,9-bis(acetyloxy)-12-(benzoyloxy)-2-(3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-1,6b,9a,12a-tetramethyl-, (2R,3aS,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-|(3aS,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-7,9-Bis(acetyloxy)-2-(furan-3-yl)-1,6b,9a,12a-tetramethyl-5-oxo-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,1-d]oxepin-12-yl benzoate|7,9-Bis(acetyloxy)-2-(furan-3-yl)-1,6b,9a,12a-tetramethyl-5-oxo-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,1-d]oxepin-12-yl benzoate
| Molecular Formula | C37H42O10 |
|---|---|
| Molecular Weight | 646.2778 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 646.2778 |
| Monoisotopic Mass | 646.2778 |
| Heavy Atoms | 47 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 71902-48-2 |
|---|---|
| SMILES | CC1=C2[C@H](CC1C3=COC=C3)OC(=O)C[C@H]4[C@]2([C@@H]([C@H]5[C@@H]6[C@@]4([C@H](C[C@H]([C@]6(CO5)C)OC(=O)C)OC(=O)C)C)OC(=O)C7=CC=CC=C7)C |
| InChIKey | ASXOZSKFUKLCDP-SWVFQSRTSA-N |
Product Overview
Ohchinolid A (CAS 71902-48-2), with molecular formula C37H42O10 and molecular weight 646.2778 g/mol. IUPAC: [(1R,2R,6S,11R,12S,13R,16R,17R,19S,20R)-17,19-diacetyloxy-8-(furan-3-yl)-1,9,11,16-tetramethyl-4-oxo-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] benzoate.