Smilagenin
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
Also Known As: Smilagenin|Isosarsapogenin|Isosarsasapogenin|Esmilagenin|Cogane|esmilagenina|smilagenine|smilageninum|Tigogenin|(25R)-5beta-Spirostan-3beta-ol|Smilagenin [INN]|(25R)-Spirostan-3beta-ol|SMILAGENIN [MI]|Spirostan-3-ol, (3beta,5beta,25R)-|(25R)-Spirostan-3-beta-ol|Spirostan-3-ol, (3b,5b,25R)-|(25R)-Spirostan-3.beta.-ol|EINECS 204-775-8|ERK5-4B13|(25R)-5EC-spirostan-3EC-ol|(3beta,5beta,25R)-spirostan-3-ol|PYM 50028|(25R)-5|A-spirostan-3|A-ol|Spirostan-3-ol,5.beta.,25R)-|A-spirostan-3|A-ol,(25r)-|5beta -Spirostan-3beta (25R)--ol
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.32904 g/mol |
| LogP | 5.79 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 683.6 |
Chemical Identifiers
| CAS Number | 126-18-1 |
|---|---|
| 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(CC[C@@H](C6)O)C)C)C)OC1 |
Product Overview
Smilagenin (CAS 126-18-1), with molecular formula C27H44O3 and molecular weight 416.32904 g/mol. IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol.
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