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CHEBI:207380 - (22S,24E)-22-acetoxyl-3alpha-hydroxy-7-oxolanosta-8,24-dien-26-oic acid
| Formula | C32H48O6 |
| Net Charge | 0 |
| Average Mass | 528.730 |
| Monoisotopic Mass | 528.34509 |
| SMILES | CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O |
| InChI | InChI=1S/C32H48O6/c1-18(28(36)37)9-10-24(38-20(3)33)19(2)21-11-16-32(8)27-22(12-15-31(21,32)7)30(6)14-13-26(35)29(4,5)25(30)17-23(27)34/h9,19,21,24-26,35H,10-17H2,1-8H3,(H,36,37)/b18-9+/t19-,21+,24-,25-,26+,30+,31+,32-/m0/s1 |
| InChIKey | YENKFKJTSHOLIL-IWRNXBKVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganodermaspecies (ncbitaxon:1869158) | - | PubMed (28504879) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (22S,24E)-22-acetoxyl-3alpha-hydroxy-7-oxolanosta-8,24-dien-26-oic acid (CHEBI:207380) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,5S,6S)-5-acetyloxy-6-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78438947 | ChemSpider |