EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:203964 - 12beta-acetoxy-3beta,7beta-dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acid
| Formula | C32H44O9 |
| Net Charge | 0 |
| Average Mass | 572.695 |
| Monoisotopic Mass | 572.29853 |
| SMILES | CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C=C(C(C)CC(=O)CC(C)C(=O)O)[C@@]12C |
| InChI | InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h13,15-16,20-22,27,35-36H,9-12,14H2,1-8H3,(H,39,40)/t15?,16?,20-,21-,22-,27+,30-,31-,32-/m0/s1 |
| InChIKey | RCSUYODNPCNTDX-SHFWFXOMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma lucidum (ncbitaxon:5315) | - | PubMed (17640004) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 12beta-acetoxy-3beta,7beta-dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acid (CHEBI:203964) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 6-[(3S,5R,7S,10S,12S,13R,14S)-12-acetyloxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78440974 | ChemSpider |