Marmesinin
(2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Also Known As: Marmesinin|Ammijin|Ammajin|(-)-Marmesinin|Nodakenin|NODAKENIN, (-)-|(-)-marmesin beta-D-glucoside|HY-N5110|NP1074|TN1380|FS-7924|7h-furo benzopyran-7-one,2-(1-2,3-dihydro-, -|(S)-2-(1-(beta-D-Glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one|7H-Furo benzopyran-7-one,2-(1- -2,3-dihydro-, -|7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (S)-|(2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one|2-[(2s)-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl |A-d-glucopyranoside|(S)-2-(2-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-2H-furo[3,2-g]chromen-7(3H)-one|7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-m ethylethyl)-2,3-dihydro-, (S)-|2-(7-Oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-2-yl)propan-2-yl hexopyranoside|(2S)-2-(2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxypropan-2-yl)-2,3-dihydrofuro(3,2-g)chromen-7-one|(2S)-2-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one|(2S)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one|(2S)-2alpha-[1-Methyl-1-(beta-D-glucopyranosyloxy)ethyl]-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one|(S)-2-[1-(beta-D-Glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one|2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-9][1]benzopyran-2-yl]propan-2-yl beta-D-glucopyranoside
| Molecular Formula | C20H24O9 |
|---|---|
| Molecular Weight | 408.14203 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.14203 |
| Monoisotopic Mass | 408.14203 |
| Heavy Atoms | 29 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 5446-68-4 |
|---|---|
| SMILES | CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | HXCGUCZXPFBNRD-NEDVQNLSSA-N |
Product Overview
Marmesinin (CAS 5446-68-4), with molecular formula C20H24O9 and molecular weight 408.14203 g/mol. IUPAC: (2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one.