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CHEBI:200756 - 29-Hydroxydehydropachymic acid
| Formula | C33H50O6 |
| Net Charge | 0 |
| Average Mass | 542.757 |
| Monoisotopic Mass | 542.36074 |
| SMILES | C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4[C@@](C)(CO)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |
| InChI | InChI=1S/C33H50O6/c1-19(2)20(3)9-10-22(29(37)38)28-25(36)17-33(8)24-11-12-26-30(5,23(24)13-16-32(28,33)7)15-14-27(39-21(4)35)31(26,6)18-34/h11,13,19,22,25-28,34,36H,3,9-10,12,14-18H2,1-2,4-8H3,(H,37,38)/t22-,25-,26-,27+,28+,30-,31-,32-,33+/m1/s1 |
| InChIKey | USCUFHFTPQCOLH-YXMYOOBPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Wolfiporia cocos (ncbitaxon:81056) | - | PubMed (22083926) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 29-Hydroxydehydropachymic acid (CHEBI:200756) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(3S,4S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436664 | ChemSpider |