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CHEBI:199198 - Citreohybridone J
| Formula | C30H40O10 |
| Net Charge | 0 |
| Average Mass | 560.640 |
| Monoisotopic Mass | 560.26215 |
| SMILES | COC(=O)[C@]12[C@H](O)[C@]3(C)O[C@](C)(C=C4[C@]56CC[C@H](OC(C)=O)C(C)(C)C5[C@H](C[C@@]41C)OC6=O)[C@@]2(C)[C@H]3OC(C)=O |
| InChI | InChI=1S/C30H40O10/c1-14(31)37-18-10-11-29-17-13-26(6)28(8)21(38-15(2)32)27(7,40-26)20(33)30(28,23(35)36-9)25(17,5)12-16(39-22(29)34)19(29)24(18,3)4/h13,16,18-21,33H,10-12H2,1-9H3/t16-,18-,19?,20+,21-,25-,26+,27-,28+,29+,30+/m0/s1 |
| InChIKey | XLHDQTOMRUGVMF-AWWLLQAHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | DOI (10.1016/s0040-4020(03)00739-7) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Citreohybridone J (CHEBI:199198) is a steroid ester (CHEBI:47880) |
| IUPAC Name |
|---|
| methyl (1S,4R,5R,6R,7S,8S,9R,10S,12S,15S)-6,15-diacetyloxy-8-hydroxy-4,5,7,10,14,14-hexamethyl-18-oxo-19,20-dioxahexacyclo[10.5.2.14,7.01,13.02,10.05,9]icos-2-ene-9-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 78443549 | ChemSpider |