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CHEBI:177488 - bolmantalate
| Formula | C29H40O3 |
| Net Charge | 0 |
| Average Mass | 436.636 |
| Monoisotopic Mass | 436.29775 |
| SMILES | [H][C@@]12CCC3=CC(=O)CC[C@]3([H])[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@]21[H] |
| InChI | InChI=1S/C29H40O3/c1-28-9-8-23-22-5-3-21(30)13-20(22)2-4-24(23)25(28)6-7-26(28)32-27(31)29-14-17-10-18(15-29)12-19(11-17)16-29/h13,17-19,22-26H,2-12,14-16H2,1H3/t17?,18?,19?,22-,23+,24+,25-,26-,28-,29?/m0/s1 |
| InChIKey | NCXAMLZZPQRJGY-PVAKYVEVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bolmantalate (CHEBI:177488) is a steroid ester (CHEBI:47880) |
| IUPAC Name |
|---|
| [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate |