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CHEBI:202631 - Hebelomic acid F
| Formula | C40H62O11 |
| Net Charge | 0 |
| Average Mass | 718.925 |
| Monoisotopic Mass | 718.42921 |
| SMILES | CC(=O)O[C@@H]1O[C@@H](C(C)(C)O)CCC1[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CC(C)(O)CC(=O)O)[C@H](OC(C)=O)C(C)(C)C1CC3 |
| InChI | InChI=1S/C40H62O11/c1-22(41)48-33-28(50-32(45)21-37(7,47)20-31(43)44)19-38(8)26-16-18-39(9)25(15-17-40(39,10)27(26)12-13-29(38)35(33,3)4)24-11-14-30(36(5,6)46)51-34(24)49-23(2)42/h24-25,28-30,33-34,46-47H,11-21H2,1-10H3,(H,43,44)/t24?,25-,28-,29?,30-,33+,34-,37?,38-,39-,40+/m1/s1 |
| InChIKey | JBMORHZTYFJYCP-NWSLHHDSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hebeloma senescens (ncbitaxon:246967) | - | DOI (10.1021/np50121a003) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hebelomic acid F (CHEBI:202631) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 5-[[(2R,3R,10S,13R,14R,17R)-3-acetyloxy-17-[(2S,6R)-2-acetyloxy-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 |
|---|---|
| 78443731 | ChemSpider |