Neotigogenin acetate
(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl) acetate
Also Known As: Neotigogenin acetate|Tigogenin acetate|Smilagenin acetate|Tigogenin|Spirostan-3-yl acetate|SMILAGENIN, ACETATE|Spirostan-3-yl acetate #|5.alpha.-Spirostan-3.beta.-ol, (25S)-|Spirostan-3-ol, (3.beta.,5.alpha.,25S)-|5.alpha.-Spirostan-3.beta.-ol, acetate, (25S)-|Spirostan-3-ol, acetate, (3.beta.,5.alpha.,25S)-|(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl) acetate|(5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-16-yl) acetate|(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-tetrahydropyran]-16-yl) acetate|5,7',9',13'-TETRAMETHYL-5'-OXASPIRO[OXANE-2,6'-PENTACYCLO[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]ICOSAN]-16'-YL ACETATE|5-ALPHA, 20-ALPHA, 22-ALPHA, 25D-SPIROSTAN-3-BETA-OL ACETATE;25R,5ALPHA-SPIROSTAN-3BETA-OL 3-ACETATE;TIGOGENIN ACETATE;O-ACETYLTIGOGENIN;(25R)-5-alpha-spirostan-3-beta-yl acetate;(22R,25R)-5| cent-Spirostane-3|?-ol acetate;(25R)-5| cent-Spirostan-3|?-ol acetate;(25R
| Molecular Formula | C29H46O4 |
|---|---|
| Molecular Weight | 458.3396 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.3396 |
| Monoisotopic Mass | 458.3396 |
| Heavy Atoms | 33 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 4947-75-5 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)C)C)C)C)OC1 |
| InChIKey | LVRAKYNQYKVPIK-UHFFFAOYSA-N |
Product Overview
Neotigogenin acetate (CAS 4947-75-5), with molecular formula C29H46O4 and molecular weight 458.3396 g/mol. IUPAC: (5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl) acetate.