Gitogenin
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol
Also Known As: Gitogenin|Digin|Digine|Gitogenin (Standard)|(2a,3b,5a,25R)-Spirostan-2,3-diol|GITOGENIN [MI]|(25R)-5alpha-Spirostan-2alpha,3beta-diol|HY-N2574R|2.ALPHA.-HYDROXYTIGOGENIN|HY-N2574|7116AB|Spirostan-2,3-diol, (2a,3b,5a,25R)-|AI3-62266|(2alpha,3beta,5alpha,25R)-Spirostan-2,3-diol|5alpha,22alpha-Spirostane-2alpha,3beta-diol|Spirostan-2,3-diol, (2alpha,3beta,5alpha,25R)-|-5ALPHA-SPIROSTAN-2ALPHA,3BETA-DIOL|(25r,s)-5alpha-spirostane-2alpha,3beta-diol
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32397 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 432.32397 |
| Monoisotopic Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 511-96-6 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O)O)C)C)C)OC1 |
| InChIKey | FWCXELAAYFYCSR-RYKNUXCGSA-N |
Product Overview
Gitogenin (CAS 511-96-6), with molecular formula C27H44O4 and molecular weight 432.32397 g/mol. IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol.