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CHEBI:201633 - 11-Oacetyl-NGA0187
| Formula | C32H50O7 |
| Net Charge | 0 |
| Average Mass | 546.745 |
| Monoisotopic Mass | 546.35565 |
| SMILES | CC(=O)O[C@H]1C[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@H](OC(C)=O)C[C@H]2[C@H]2[C@H]1[C@@]1(C)CC[C@H](O)C[C@@H]1C(=O)[C@@H]2O |
| InChI | InChI=1S/C32H50O7/c1-16(2)17(3)9-10-18(4)27-24(38-19(5)33)14-22-26-28(25(39-20(6)34)15-32(22,27)8)31(7)12-11-21(35)13-23(31)29(36)30(26)37/h9-10,16-18,21-28,30,35,37H,11-15H2,1-8H3/b10-9+/t17-,18+,21-,22-,23+,24-,25-,26-,27-,28-,30+,31-,32-/m0/s1 |
| InChIKey | RGLFIQOXXMIOAC-LHBLEUNKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicilliumspecies GD6 (ncbitaxon:1429582) | - | DOI (10.1002/hlca.201400062) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 11-Oacetyl-NGA0187 (CHEBI:201633) is a ergostanoid (CHEBI:50403) |
| IUPAC Name |
|---|
| [(3S,5S,7R,8S,9S,10R,11S,13S,14S,16S,17R)-11-acetyloxy-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,7-dihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 34981573 | ChemSpider |