Ohchinolide B
[(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] (E)-2-methylbut-2-enoate
Also Known As: Ohchinolide B|OHCHINOLID B|B1370-449748|2-Butenoic acid, 2-methyl-, (2R,3aS,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-7,9-bis(acetyloxy)-2-(3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-1,6b,9a,12a-tetramethyl-5-oxo-2H,5H-cyclopent(a)isobenzofuro(7,1-gh)(3)benzoxepin-12-yl ester, (2E)-
| Molecular Formula | C35H44O10 |
|---|---|
| Molecular Weight | 624.29346 g/mol |
| LogP | 5.2077 |
| Topological Polar Surface Area | 127.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 624.29346 |
| Monoisotopic Mass | 624.29346 |
| Heavy Atoms | 45 |
| Complexity | 1472.5812 |
Chemical Identifiers
| CAS Number | 71902-49-3 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@@H]1[C@H]2[C@H]3[C@](CO2)([C@@H](C[C@@H]([C@@]3([C@@H]4[C@@]1(C5=C(C(C[C@@H]5OC(=O)C4)C6=COC=C6)C)C)C)OC(=O)C)OC(=O)C)C |
Product Overview
Ohchinolide B (CAS 71902-49-3), with molecular formula C35H44O10 and molecular weight 624.29346 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] (E)-2-methylbut-2-enoate.
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