RUBRATOXIN A
3,13-dihydroxy-2-(1-hydroxyheptyl)-10-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione
Also Known As: RUBRATOXIN A|AC1L1L2Y|HSDB 3532|BRN 1633008|J19.400J|5-19-08-00329 (Beilstein Handbook Reference)|10-((3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-4,5,8,9,10,11-hexahydro-4,8-dihydroxy-5-(1-hydroxyheptyl)-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6-trione|3,13-Dihydroxy-2-(1-hydroxyheptyl)-10-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione|4,8-dihydroxy-10-(hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl)-5-(1-hydroxyheptyl)-4,5,8,9,10,11-hexahydro-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6-trione|(3S)-3,13-dihydroxy-2-[(1S)-1-hydroxyheptyl]-10-[(S)-hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione|10-[(3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-4,5,8,9,10,11-hexahydro-4,8-dihydroxy-5-(1-hydroxyheptyl)-1H-cyclonona[1,2-c:5,6-c ]difuran-1,3,6-trione|1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6-trione, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-4,5,8,9,10,11-hexahydro-4,8-dihydroxy-5-(1-hydroxyheptyl)-|1H-Cyclonona(c)furan-6,7-dicarboxylic anhydride, 9-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-3,4,5,8,9,10-hexahydro-1,5-dihydroxy-4-(1-hydroxyheptyl)-3-oxo-|1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6-trione, 10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-4,5,8,9,10,11-hexahydro-4,8-dihydroxy-5-(1-hydroxyheptyl)-|1H-Cyclonona[c]furan-6,7-dicarboxylic anhydride, 9-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-3,4,5,8,9,10-hexahydro-1,5-dihydroxy-4-(1-hydroxyheptyl)-3-oxo-|3,13-dihydroxy-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-2-(1-hydroxyheptyl)-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione
| Molecular Formula | C26H32O11 |
|---|---|
| Molecular Weight | 520.19446 g/mol |
| LogP | 0.49 |
| Topological Polar Surface Area | 176.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.19446 |
| Heavy Atoms | 37 |
| Complexity | 1054.7 |
Chemical Identifiers
| CAS Number | 22467-31-8 |
|---|---|
| SMILES | CCCCCCC(C1C(C2=C(CC(CC3=C1C(=O)OC3O)C(C4CC=CC(=O)O4)O)C(=O)OC2=O)O)O |
Product Overview
RUBRATOXIN A (CAS 22467-31-8), with molecular formula C26H32O11 and molecular weight 520.19446 g/mol. IUPAC: 3,13-dihydroxy-2-(1-hydroxyheptyl)-10-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione.
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