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CHEBI:227179 - (22S,24E)-7alpha-hydroxy-3beta,15alpha,22-triacetoxylanosta-8,24-dien-26-oic acid
| Formula | C36H54O9 |
| Net Charge | 0 |
| Average Mass | 630.819 |
| Monoisotopic Mass | 630.37678 |
| SMILES | CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O |
| InChI | InChI=1S/C36H54O9/c1-19(32(41)42)11-12-27(43-21(3)37)20(2)25-17-30(45-23(5)39)36(10)31-24(13-16-35(25,36)9)34(8)15-14-29(44-22(4)38)33(6,7)28(34)18-26(31)40/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+/t20-,25+,26+,27-,28-,29-,30-,34+,35+,36-/m0/s1 |
| InChIKey | CJPRYGHXZADIKU-AYBHNRCBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganodermaspecies BCC 16642 (ncbitaxon:1658744) | - | PubMed (26716912) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (22S,24E)-7alpha-hydroxy-3beta,15alpha,22-triacetoxylanosta-8,24-dien-26-oic acid (CHEBI:227179) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,5S,6S)-5-acetyloxy-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 58914574 | ChemSpider |