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CHEBI:219529 - Saponaceol B
| Formula | C46H69NO12 |
| Net Charge | 0 |
| Average Mass | 828.053 |
| Monoisotopic Mass | 827.48198 |
| SMILES | COC(=O)C(NC(=O)CC(C)(O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1O)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)OC2O)[C@@]1(C)[C@@H](O)C3)C(O)c1ccccc1 |
| InChI | InChI=1S/C46H69NO12/c1-41(2)31-17-16-28-29(21-32(48)46(8)27(19-20-45(28,46)7)26-15-18-33(42(3,4)55)59-39(26)53)44(31,6)22-30(38(41)52)58-35(50)24-43(5,56)23-34(49)47-36(40(54)57-9)37(51)25-13-11-10-12-14-25/h10-14,26-27,30-33,36-39,48,51-53,55-56H,15-24H2,1-9H3,(H,47,49)/t26-,27-,30-,31+,32+,33-,36?,37?,38+,39?,43?,44-,45+,46+/m1/s1 |
| InChIKey | ZRYFALPBUPDYAR-AUKXAFPHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tricholoma saponaceum (ncbitaxon:113602) | - | PubMed (15256717) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Saponaceol B (CHEBI:219529) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [(2R,3R,5R,10S,12S,13R,14S,17R)-3,12-dihydroxy-17-[(3R,6R)-2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-hydroxy-5-[(1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl)amino]-3-methyl-5-oxopentanoate |
| Manual Xrefs | Databases |
|---|---|
| 78445296 | ChemSpider |