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CHEBI:207172 - Hebelomic acid B
| Formula | C40H62O12 |
| Net Charge | 0 |
| Average Mass | 734.924 |
| Monoisotopic Mass | 734.42413 |
| SMILES | CC(=O)O[C@H]1CC2=C(CCC3C(C)(C)[C@@H](OC(C)=O)[C@H](OC(=O)CC(C)(O)CC(=O)O)C[C@]23C)[C@]2(C)CC[C@H](C3CC[C@H](C(C)(C)O)O[C@H]3O)[C@@]12C |
| InChI | InChI=1S/C40H62O12/c1-21(41)49-30-17-26-25(39(9)16-15-24(40(30,39)10)23-11-14-29(36(5,6)47)52-34(23)46)12-13-28-35(3,4)33(50-22(2)42)27(18-38(26,28)8)51-32(45)20-37(7,48)19-31(43)44/h23-24,27-30,33-34,46-48H,11-20H2,1-10H3,(H,43,44)/t23?,24-,27-,28?,29-,30+,33+,34-,37?,38-,39+,40+/m1/s1 |
| InChIKey | NWNZSOBRAQBTIG-KMYROHMVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hebeloma senescens (ncbitaxon:246967) | - | DOI (10.1021/np50121a003) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hebelomic acid B (CHEBI:207172) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 5-[[(2R,3R,10S,12S,13R,14S,17R)-3,12-diacetyloxy-17-[(2R,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]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78443761 | ChemSpider |