Xenoclauxin
(9,19-dihydroxy-11,17-dimethyl-3,5,7,15,21-pentaoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaen-24-yl) acetate
Also Known As: Xenoclauxin|(9,19-Dihydroxy-11,17-dimethyl-3,5,7,15,21-pentaoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaen-24-yl) acetate|7H-8,15b-Methano-1H,3H,12H-benzo(de)cyclohepta(1,2-g:3,4,5-d'e')bis(2)benzopyran-3,7,12,14(8H)-tetrone, 16-(acetyloxy)-4,11,15-trihydroxy-6,9-dimethyl-, (8R-(8alpha,15balpha,16S*))-|4,11-Dihydroxy-6,9-dimethyl-3,7,12,14,15-pentaoxo-8,14,14a,15-tetrahydro-1H,3H,7H,12H-8,15b-methanopyrano[3'',4'',5'':4',5']naphtho[1',2':6,7]cyclohepta[1,2,3-de][2]benzopyran-16-yl acetate
| Molecular Formula | C28H18O11 |
|---|---|
| Molecular Weight | 530.0849 g/mol |
| LogP | 1.69774 |
| Topological Polar Surface Area | 170.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 1 |
| Exact Mass | 530.0849 |
| Monoisotopic Mass | 530.0849 |
| Heavy Atoms | 39 |
| Complexity | 1742.262 |
Chemical Identifiers
| CAS Number | 7599-61-3 |
|---|---|
| SMILES | CC1=CC(=C2C3=C1C4=C(C(=O)C3C(=O)OC2=O)C56COC(=O)C7=C(C=C(C(=C75)C(=O)C4C6OC(=O)C)C)O)O |
Product Overview
Xenoclauxin (CAS 7599-61-3), with molecular formula C28H18O11 and molecular weight 530.0849 g/mol. IUPAC: (9,19-dihydroxy-11,17-dimethyl-3,5,7,15,21-pentaoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaen-24-yl) acetate.
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