Podolactone C
(2R,4S,5R,10S,12S,14R,15R,18R)-5-[(2R)-2-hydroxy-1-methylsulfinylpropan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione
Also Known As: Podolactone C|KST-1A4268|(4r,4as,5ar,5cr,7ar,7br,8as,9as)-4-[(2r)-2-hydroxy-1-(methylsulfinyl)propan-2-yl]-7a,9a-dimethyl-5a,5b,5c,7a,7b,8a,9,9a-octahydro-2h,7h-oxireno[4,5][2]benzofuro[7,1-fg]oxireno[i]isochromene-2,7-dione|Podolactone B, 1,2-deepoxy-3,16-dideoxy-2,3-epoxy-16-(methylsulfinyl)-, (2beta,3beta,15R)-
| Molecular Formula | C20H24O8S |
|---|---|
| Molecular Weight | 424.1192 g/mol |
| LogP | -0.16 |
| Topological Polar Surface Area | 114.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.1192 |
| Heavy Atoms | 29 |
| Complexity | 927.4 |
Chemical Identifiers
| CAS Number | 35467-31-3 |
|---|---|
| SMILES | C[C@]12C[C@H]3[C@H](O3)[C@]4([C@@H]1C([C@@H]5[C@]6(C2=CC(=O)O[C@@H]6[C@](C)(CS(=O)C)O)O5)OC4=O)C |
Product Overview
Podolactone C (CAS 35467-31-3), with molecular formula C20H24O8S and molecular weight 424.1192 g/mol. IUPAC: (2R,4S,5R,10S,12S,14R,15R,18R)-5-[(2R)-2-hydroxy-1-methylsulfinylpropan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione.
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