Yuccagenin
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-15,16-diol
Also Known As: Yuccagenin|yuaccagenin|spirost-5-en-2,3-diol|(25R)-spirost-5-en-2alpha,3beta-diol|(25r)-spirost-5-ene-2alpha,3beta-diol|Spirost-5-ene-2,3-diol, (2alpha,3beta,25R)-|(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-15,16-diol|(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,15'R,16'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-ene-15',16'-diol|(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-15,16-diol
| Molecular Formula | C27H42O4 |
|---|---|
| Molecular Weight | 430.30832 g/mol |
| LogP | 4.6847 |
| Topological Polar Surface Area | 58.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 430.30832 |
| Monoisotopic Mass | 430.30832 |
| Heavy Atoms | 31 |
| Complexity | 769.1981 |
Chemical Identifiers
| CAS Number | 511-97-7 |
|---|---|
| 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=C6[C@@]5(C[C@H]([C@@H](C6)O)O)C)C)C)OC1 |
Product Overview
Yuccagenin (CAS 511-97-7), with molecular formula C27H42O4 and molecular weight 430.30832 g/mol. IUPAC: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-15,16-diol.