Desacetyl-tanghinin
3-[7-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one
Also Known As: Desacetyl-tanghinin|Tanghinin, deacetyl-|3beta-[(6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-7beta,8-epoxy-14-hydroxy-5beta-card-20(22)-enolide
CAS: 4589-95-1
| Molecular Formula | C30H44O9 |
|---|---|
| Molecular Weight | 548.2985 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 548.2985 |
| Monoisotopic Mass | 548.2985 |
| Heavy Atoms | 39 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 4589-95-1 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C46C(O6)CC3C2)O)C7=CC(=O)OC7)C)C)O)OC)O |
| InChIKey | LVGNJQMAMYJAIL-UHFFFAOYSA-N |
Product Overview
Desacetyl-tanghinin (CAS 4589-95-1), with molecular formula C30H44O9 and molecular weight 548.2985 g/mol. IUPAC: 3-[7-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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