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CHEBI:181376 - Paspaline B
| Formula | C28H37NO3 |
| Net Charge | 0 |
| Average Mass | 435.608 |
| Monoisotopic Mass | 435.27734 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@](C)(CC[C@]4([H])O[C@]([H])(C(C)(C)O)CC[C@@]34C=O)[C@@]1(C)c1nc3ccccc3c1C2 |
| InChI | InChI=1S/C28H37NO3/c1-25(2,31)22-12-14-28(16-30)21-10-9-17-15-19-18-7-5-6-8-20(18)29-24(19)27(17,4)26(21,3)13-11-23(28)32-22/h5-8,16-17,21-23,29,31H,9-15H2,1-4H3/t17-,21+,22-,23-,26-,27+,28+/m0/s1 |
| InChIKey | AYNSNFZADBZRGD-QEXKWOBCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium paxilli (ncbitaxon:70109) | - | DOI (10.1016/0031-9422(95)00515-3) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Paspaline B (CHEBI:181376) is a 19-oxo steroid (CHEBI:38149) |
| IUPAC Names |
|---|
| (1S,2S,5S,7S,10R,11R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraene-10-carbaldehyde |
| (1S,2S,7S,10R,11R)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraene-10-carbaldehyde |