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CHEBI:202879 - Citreohybridone B
| Formula | C29H38O8 |
| Net Charge | 0 |
| Average Mass | 514.615 |
| Monoisotopic Mass | 514.25667 |
| SMILES | COC(=O)[C@@]12C(OC)=C(C)C(=O)[C@]1(C)C(C)=CC1[C@]34CC[C@H](OC(C)=O)C(C)(C)C3[C@H](C[C@@]12C)OC4=O |
| InChI | InChI=1S/C29H38O8/c1-14-12-18-26(6,29(24(33)35-9)22(34-8)15(2)21(31)27(14,29)7)13-17-20-25(4,5)19(36-16(3)30)10-11-28(18,20)23(32)37-17/h12,17-20H,10-11,13H2,1-9H3/t17-,18?,19-,20?,26-,27-,28+,29+/m0/s1 |
| InChIKey | GDJIGJOJNOOUDU-GQSKQXEDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | DOI (10.1016/s0040-4020(03)00739-7) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Citreohybridone B (CHEBI:202879) is a steroid ester (CHEBI:47880) |
| IUPAC Name |
|---|
| methyl (1R,5R,9R,10S,12S,15S)-15-acetyloxy-8-methoxy-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadeca-3,7-diene-9-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 78443558 | ChemSpider |