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CHEBI:216045 - Ceanphytamic acid B
| Formula | C33H54O6 |
| Net Charge | 0 |
| Average Mass | 546.789 |
| Monoisotopic Mass | 546.39204 |
| SMILES | COC(C)(C)CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 |
| InChI | InChI=1S/C33H54O6/c1-20(34)39-26-15-17-31(6)22-14-18-32(7)27(21(28(36)37)11-10-16-29(2,3)38-9)24(35)19-33(32,8)23(22)12-13-25(31)30(26,4)5/h21,24-27,35H,10-19H2,1-9H3,(H,36,37)/t21-,24-,25+,26+,27+,31-,32-,33+/m1/s1 |
| InChIKey | IEEUYMTZLJZXFD-RBBWSZCFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Wolfiporia cocos (ncbitaxon:81056) | - | PubMed (30274339) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ceanphytamic acid B (CHEBI:216045) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methoxy-6-methylheptanoic acid |