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CHEBI:207260 - Tyromycic acid C
| Formula | C32H48O5 |
| Net Charge | 0 |
| Average Mass | 512.731 |
| Monoisotopic Mass | 512.35017 |
| SMILES | CC(=O)O[C@@H]1C=C2C(=CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]12C |
| InChI | InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)22-14-17-31(7)23-12-13-25-29(4,5)26(34)15-16-30(25,6)24(23)18-27(32(22,31)8)37-21(3)33/h11-12,18-19,22,25-27,34H,9-10,13-17H2,1-8H3,(H,35,36)/b20-11-/t19-,22-,25+,26+,27-,30-,31+,32+/m1/s1 |
| InChIKey | LMRPISCHWOHHOB-QCSIBCATSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pappia fissilis (ncbitaxon:1040649) | - | PubMed (14987050) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tyromycic acid C (CHEBI:207260) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (Z,6R)-6-[(3S,5R,10S,12R,13R,14S,17R)-12-acetyloxy-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 |
|---|---|
| 78437329 | ChemSpider |