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CHEBI:217163 - Penicimeroterpenoid B
| Formula | C27H36O8 |
| Net Charge | 0 |
| Average Mass | 488.577 |
| Monoisotopic Mass | 488.24102 |
| SMILES | COC(=O)[C@@]12C(=O)[C@@](C)(O)[C@]1(C)C(C)=C[C@H]1[C@]34CC[C@H](OC(C)=O)C(C)(C)[C@H]3[C@H](C[C@@]12C)OC4=O |
| InChI | InChI=1S/C27H36O8/c1-13-11-16-23(5,27(21(31)33-8)19(29)25(7,32)24(13,27)6)12-15-18-22(3,4)17(34-14(2)28)9-10-26(16,18)20(30)35-15/h11,15-18,32H,9-10,12H2,1-8H3/t15-,16+,17-,18+,23-,24-,25+,26+,27+/m0/s1 |
| InChIKey | SKFADFPJLWIVNS-OIYRLCAMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (32806192) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Penicimeroterpenoid B (CHEBI:217163) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| methyl (1R,2R,5R,6S,8R,9S,11S,12R,14S)-14-acetyloxy-6-hydroxy-4,5,6,9,13,13-hexamethyl-7,17-dioxo-18-oxapentacyclo[9.5.2.01,12.02,9.05,8]octadec-3-ene-8-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 90298197 | ChemSpider |