CID 47926
(1S,3R,8R,10S,12R,14S,18R,19R,22S)-5,7,22-trihydroxy-8,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-6-one
Also Known As: Labriformidin|AC1L2J19|(1S,3R,8R,10S,12R,14S,18R,19R,22S)-5,7,22-Trihydroxy-8,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-6-one|Card-20(22)-enolide, 14-hydroxy-2,3-((tetrahydro-3,5-dihydroxy-6-methyl-4-oxo-2H-pyran-3,2-diyl)bis(oxy))-, (2-alpha(2S,6R),3-beta,5-alpha)-
| Molecular Formula | C29H40O9 |
|---|---|
| Molecular Weight | 532.2672 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 131.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 532.2672 |
| Heavy Atoms | 38 |
| Complexity | 1089.9 |
Chemical Identifiers
| CAS Number | 66419-08-7 |
|---|---|
| SMILES | C[C@@H]1C(C(=O)C2([C@@H](O1)O[C@@H]3C[C@]4([C@@H](CCC5C4CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)C[C@H]3O2)C)O)O |
Product Overview
CID 47926 (CAS 66419-08-7), with molecular formula C29H40O9 and molecular weight 532.2672 g/mol. IUPAC: (1S,3R,8R,10S,12R,14S,18R,19R,22S)-5,7,22-trihydroxy-8,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-6-one.
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