16-Deoxygrayanotoxin III
(3R,4R,6S,8S,9R,10R,14S,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,16-pentol
Also Known As: 16-Deoxygrayanotoxin III|Grayanotoxane-3,5,6,10,14-pentol|(14S)-Grayanotoxane-3beta,5,6beta,10,14-pentol|Grayanotoxane-3,5,6,10,14-pentol, (3-beta,6-beta,14R)-|7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,11,11a,12(1H)-pentol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-
| Molecular Formula | C20H34O5 |
|---|---|
| Molecular Weight | 354.24063 g/mol |
| LogP | 1.0534 |
| 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 | 574.43384 |
Chemical Identifiers
| CAS Number | 59236-83-8 |
|---|---|
| SMILES | C[C@H]1CC23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)[C@]([C@@H]2CCC1[C@@H]3O)(C)O)O)O |
Product Overview
16-Deoxygrayanotoxin III (CAS 59236-83-8), with molecular formula C20H34O5 and molecular weight 354.24063 g/mol. IUPAC: (3R,4R,6S,8S,9R,10R,14S,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,16-pentol.
16-Deoxygrayanotoxin III is a custom synthesis product. We offer services from milligram to kilogram scale.
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