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CHEBI:227113 - (22S,24E)-3beta,22-diacetoxy-7alpha-methoxylanosta-8,24-dien-26-oic acid
| Formula | C35H54O7 |
| Net Charge | 0 |
| Average Mass | 586.810 |
| Monoisotopic Mass | 586.38695 |
| SMILES | CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 |
| InChI | InChI=1S/C35H54O7/c1-20(31(38)39)11-12-26(41-22(3)36)21(2)24-13-18-35(9)30-25(14-17-34(24,35)8)33(7)16-15-29(42-23(4)37)32(5,6)28(33)19-27(30)40-10/h11,21,24,26-29H,12-19H2,1-10H3,(H,38,39)/b20-11+/t21-,24+,26-,27+,28-,29-,33+,34+,35-/m0/s1 |
| InChIKey | UBGHTOOEMRLEGM-MJLYOBLKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganodermaspecies BCC 16642 (ncbitaxon:1658744) | - | PubMed (26716912) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (22S,24E)-3beta,22-diacetoxy-7alpha-methoxylanosta-8,24-dien-26-oic acid (CHEBI:227113) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,5S,6S)-5-acetyloxy-6-[(3S,5R,7R,10S,13R,14R,17R)-3-acetyloxy-7-methoxy-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 |
|---|---|
| 58914575 | ChemSpider |