Labriformine
3-[(1R,3R,5S,7R,12R,14S,18R,19R,22S)-8,10,22-trihydroxy-7,14,18-trimethylspiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-19-yl]-2H-furan-5-one
Also Known As: Labriformin|Labriformine|RefChem:1088315|AC1L2J16|Card-20(22)-enolide, 2,3-((6,10-dihydroxy-9-methyl-8-oxa-1-thia-4-azaspiro(4.5)dec-3-ene-6,7-diyl)bis(oxy))-14-hydroxy-, (2-alpha(7S,9R),3-beta,5-alpha)-
| Molecular Formula | C31H43NO8S |
|---|---|
| Molecular Weight | 589.27094 g/mol |
| LogP | 2.95 |
| Topological Polar Surface Area | 127.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 589.27094 |
| Heavy Atoms | 41 |
| Complexity | 1212.5 |
Chemical Identifiers
| CAS Number | 66419-07-6 |
|---|---|
| SMILES | C[C@@H]1C(C2(C3([C@@H](O1)O[C@@H]4C[C@H]5CCC6C([C@]5(C[C@H]4O3)C)CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)N=CCS2)O |
Product Overview
Labriformine (CAS 66419-07-6), with molecular formula C31H43NO8S and molecular weight 589.27094 g/mol. IUPAC: 3-[(1R,3R,5S,7R,12R,14S,18R,19R,22S)-8,10,22-trihydroxy-7,14,18-trimethylspiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-19-yl]-2H-furan-5-one.
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