Grayanotoxane-5,6,10,14,16-pentol
(3R,4R,8S,9R,10R,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,9,14,16-pentol
Also Known As: 3-Deoxygrayanotoxin III|Grayanotoxane-5,6,10,14,16-pentol|(6-beta,14-R)Grayanotoxane-5,6,10,14,16-pentol|(14S)-Grayanotoxane-5,6beta,10,14,16-pentol|Grayanotoxane-5,6,10,14,16-pentol, (6-beta,14-R)-
CAS: 59236-84-9
| Molecular Formula | C20H34O5 |
|---|---|
| Molecular Weight | 354.24063 g/mol |
| LogP | 1.1975 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 354.24063 |
| Monoisotopic Mass | 354.24063 |
| Heavy Atoms | 25 |
| Complexity | 584.63556 |
Chemical Identifiers
| CAS Number | 59236-84-9 |
|---|---|
| SMILES | C[C@]1(CC23C[C@H]([C@]4([C@@H](CCC4(C)C)[C@]([C@@H]2CCC1[C@@H]3O)(C)O)O)O)O |
Product Overview
Grayanotoxane-5,6,10,14,16-pentol (CAS 59236-84-9), with molecular formula C20H34O5 and molecular weight 354.24063 g/mol. IUPAC: (3R,4R,8S,9R,10R,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,9,14,16-pentol.
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.
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