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CHEBI:226907 - 12beta-acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid butyl ester
| Formula | C36H50O9 |
| Net Charge | 0 |
| Average Mass | 626.787 |
| Monoisotopic Mass | 626.34548 |
| SMILES | CCCCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O |
| InChI | InChI=1S/C36H50O9/c1-10-11-14-44-32(43)20(3)16-22(38)15-19(2)23-17-27(41)36(9)28-24(39)18-25-33(5,6)26(40)12-13-34(25,7)29(28)30(42)31(35(23,36)8)45-21(4)37/h19-20,23,25,31H,10-18H2,1-9H3/t19-,20?,23-,25+,31-,34+,35+,36+/m1/s1 |
| InChIKey | LGUSPANGDRNOOV-GCCQGBQGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma lucidum (ncbitaxon:5315) | - | PubMed (24934684) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 12beta-acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid butyl ester (CHEBI:226907) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| butyl (6R)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate |
| Manual Xrefs | Databases |
|---|---|
| 78441243 | ChemSpider |