Products 854381-37-6
CAS 854381-37-6 is the registry number for Esculeogenin A. Offered by: Biosynth. Available pack sizes: 0,1g, 0,05g.
Esculeogenin A is a sapogenin that is spirosolane substituted by hydroxy groups at positions 3, 23 and 27 (the 3beta,5alpha,22alpha,23S,25S stereoisomer). It has a role as a metabolite and an EC 2.3.1.26 (sterol O-acyltransferase) inhibitor. It is a sapogenin, an azaspiro compound, a 3beta-hydroxy steroid and an oxaspiro compound.
Source: ChEBI
| Molecular formula | C27H45NO4 |
|---|---|
| Molecular weight | 447.6 g/mol |
| IUPAC name | (1R,2S,3'S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-3',16-diol |
| InChIKey | FBKQAVWTYDQPAB-HBDLFPIVSA-N |
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O[C@]16[C@H](C[C@@H](CN6)CO)O |
Computed by PubChem (NCBI)