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CHEBI:62217 - 23,24-dihydrocucurbitacin B
| Formula | C32H48O8 |
| Net Charge | 0 |
| Average Mass | 560.728 |
| Monoisotopic Mass | 560.33492 |
| SMILES | [H][C@@]12CC=C3C(C)(C)C(=O)[C@@H](O)C[C@@]3([H])[C@]1(C)C(=O)C[C@@]1(C)[C@@]2(C)C[C@@H](O)[C@]1([H])[C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O |
| InChI | InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25,34-35,39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1 |
| InChIKey | QZJJDOYZVRUEDY-NRNCYQGDSA-N |
| Roles Classification |
|---|
| Biological Role: | allelochemical A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 23,24-dihydrocucurbitacin B (CHEBI:62217) has functional parent cucurbitacin B (CHEBI:3941) |
| 23,24-dihydrocucurbitacin B (CHEBI:62217) is a 23,24-dihydrocucurbitacin (CHEBI:17320) |
| 23,24-dihydrocucurbitacin B (CHEBI:62217) is a secondary α-hydroxy ketone (CHEBI:2468) |
| 23,24-dihydrocucurbitacin B (CHEBI:62217) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| IUPAC Name |
|---|
| (2S,4R)-2,16β,20-trihydroxy-9β,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl acetate |
| Synonyms | Source |
|---|---|
| 2β,16α,20,25-tetrahydroxy-9-methyl-19-nor-9β,10α-lanost-5-ene-3,11,22-trione, 25-acetate | ChEBI |
| 2β,16α,20,25-tetrahydroxy-9-methyl-3,11,22-trioxo-19-nor-9β,10α-lanost-5-en-25-yl acetate | ChEBI |
| dihydrocucurbitacin B | ChEBI |
| 25-acetoxy-2β,16α,20-trihydroxy-10α-cucurbit-5-ene-3,11,22-trione | ChEBI |
| UniProt Name | Source |
|---|---|
| 23,24-dihydrocucurbitacin B | UniProt |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3189530 | Reaxys |