Details of Sapogenin A
| IUPAC | (3S,5R,6S,8S,10S,13R,14S,16S,17R)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol |
| Canonical Smiles | C[C@]1(CC[C@@H](O1)C(C)(C)O)[C@H]2[C@H](C[C@@]3([C@@]2(CC=C4[C@H]3C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)C)O |
| Inchi | KNESISUQBYQIIU-VQZKCCIMSA-N |
| PubChem ID | 23265676 |
| Smiles | CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)O1 |
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| Class | Lanostane |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |
