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CHEBI:206464 - (24E)-3,4-seco-cucurbita-4,24-diene-26-oic acid-3-ethyl ester
| Formula | C32H52O4 |
| Net Charge | 0 |
| Average Mass | 500.764 |
| Monoisotopic Mass | 500.38656 |
| SMILES | CCOC(=O)CC[C@@H]1C(=C(C)C)CCC2[C@]3(C)CC[C@H](C(C)CC/C=C(\C)C(=O)O)[C@@]3(C)CC[C@]21C |
| InChI | InChI=1S/C32H52O4/c1-9-36-28(33)16-14-26-24(21(2)3)13-15-27-30(26,6)19-20-31(7)25(17-18-32(27,31)8)22(4)11-10-12-23(5)29(34)35/h12,22,25-27H,9-11,13-20H2,1-8H3,(H,34,35)/b23-12+/t22?,25-,26-,27?,30+,31-,32+/m1/s1 |
| InChIKey | FOAYZEODTMPENB-JJXHTMKXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Russula vinosa (ncbitaxon:176830) | - | PubMed (30987109) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (24E)-3,4-seco-cucurbita-4,24-diene-26-oic acid-3-ethyl ester (CHEBI:206464) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E)-6-[(3R,3aR,5aS,6S,9bS)-6-(3-ethoxy-3-oxopropyl)-3a,5a,9b-trimethyl-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid |