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CHEBI:70418 - acetyl aleuritolic acid
| Formula | C32H50O4 |
| Net Charge | 0 |
| Average Mass | 498.748 |
| Monoisotopic Mass | 498.37091 |
| SMILES | [H][C@]12CC[C@]3(C)C(=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(C)=O)CC[C@]21C |
| InChI | InChI=1S/C32H50O4/c1-20(33)36-25-12-15-29(6)21(28(25,4)5)9-13-30(7)22(29)10-14-31(8)23(30)11-16-32(26(34)35)18-17-27(2,3)19-24(31)32/h11,21-22,24-25H,9-10,12-19H2,1-8H3,(H,34,35)/t21-,22+,24-,25-,29-,30+,31+,32+/m0/s1 |
| InChIKey | UROPGAQBZGIPQC-VUHMTIHWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Garcia parviflora (IPNI:107401-2) | |||
| leaf (BTO:0000713) | PubMed (20958014) | n-hexane extract of air-dried, powdered branch and leaves | |
| branch (BTO:0000148) | PubMed (20958014) | n-hexane extract of air-dried, powdered branch and leaves |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acetyl aleuritolic acid (CHEBI:70418) has functional parent friedelin (CHEBI:5171) |
| acetyl aleuritolic acid (CHEBI:70418) has role antineoplastic agent (CHEBI:35610) |
| acetyl aleuritolic acid (CHEBI:70418) has role plant metabolite (CHEBI:76924) |
| acetyl aleuritolic acid (CHEBI:70418) is a acetate ester (CHEBI:47622) |
| acetyl aleuritolic acid (CHEBI:70418) is a monocarboxylic acid (CHEBI:25384) |
| acetyl aleuritolic acid (CHEBI:70418) is a pentacyclic triterpenoid (CHEBI:25872) |
| IUPAC Name |
|---|
| (4aS,6bR,8aR,10S,12aR,12bR,14aS,14bS)-10-(acetyloxy)-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydropicene-4a(2H)-carboxylic acid |
| Synonyms | Source |
|---|---|
| 3β-acetoxyfriedoolean-14-ene-28-oic acid | ChEBI |
| D-Friedoolean-14-en-28-oic acid, 3-(acetyloxy)-, (3beta)- | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2825233 | Reaxys |
| CAS:28937-85-1 | ChemIDplus |
| Citations |
|---|