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CHEBI:218090 - Divergolide C
| Formula | C31H33NO8 |
| Net Charge | 0 |
| Average Mass | 547.604 |
| Monoisotopic Mass | 547.22062 |
| SMILES | CC[C@H]1/C=C/[C@H](O)[C@H](C=C(C)C)OC(=O)[C@]2(C)C=CC(=O)NC3=C2C(=O)c2c(cc(C)c(O)c2C(=O)CC1)C3=O |
| InChI | InChI=1S/C31H33NO8/c1-6-17-7-9-19(33)21(13-15(2)3)40-30(39)31(5)12-11-22(35)32-26-25(31)29(38)23-18(28(26)37)14-16(4)27(36)24(23)20(34)10-8-17/h7,9,11-14,17,19,21,33,36H,6,8,10H2,1-5H3,(H,32,35)/b9-7+/t17-,19-,21-,31+/m0/s1 |
| InChIKey | AJEFLORKFONMBD-PSDJQMKZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | DOI (10.1016/j.tet.2017.11.069) | |
| Streptomycesspecies (ncbitaxon:1931) | - | PubMed (21308920) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Divergolide C (CHEBI:218090) is a macrolide (CHEBI:25106) |
| IUPAC Names |
|---|
| (9R,10E,12S,13S,16R)-9-ethyl-4,12-dihydroxy-3,16-dimethyl-13-(2-methylprop-1-enyl)-14-oxa-20-azatetracyclo[19.3.1.05,24.016,22]pentacosa-1(24),2,4,10,17,21-hexaene-6,15,19,23,25-pentone |
| (9R,10Z,12S,13S,16S)-9-ethyl-4,12,23,25-tetrahydroxy-3,16-dimethyl-13-(2-methylprop-1-enyl)-14-oxa-20-azatetracyclo[19.3.1.05,24.016,22]pentacosa-1(24),2,4,10,17,21(25),22-heptaene-6,15,19-trione |