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CHEBI:227139 - (22S,24E)-22-acetoxy-3beta-hydroxylanosta-7,9(11),24-trien-26-oic acid
| Formula | C32H48O5 |
| Net Charge | 0 |
| Average Mass | 512.731 |
| Monoisotopic Mass | 512.35017 |
| SMILES | CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C |
| InChI | InChI=1S/C32H48O5/c1-19(28(35)36)9-11-25(37-21(3)33)20(2)22-13-17-32(8)24-10-12-26-29(4,5)27(34)15-16-30(26,6)23(24)14-18-31(22,32)7/h9-10,14,20,22,25-27,34H,11-13,15-18H2,1-8H3,(H,35,36)/b19-9+/t20-,22+,25-,26-,27-,30+,31+,32-/m0/s1 |
| InChIKey | FRRMMEJOPQSLSE-BNCUJORJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganodermaspecies BCC 16642 (ncbitaxon:1658744) | - | PubMed (26716912) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (22S,24E)-22-acetoxy-3beta-hydroxylanosta-7,9(11),24-trien-26-oic acid (CHEBI:227139) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,5S,6S)-5-acetyloxy-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78438866 | ChemSpider |