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CHEBI:168800 - Polyporusterone B
| Formula | C28H44O6 |
| Net Charge | 0 |
| Average Mass | 476.654 |
| Monoisotopic Mass | 476.31379 |
| SMILES | [H][C@]1([C@@](C)(O)[C@H](O)CC(=C)C(C)C)CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C |
| InChI | InChI=1S/C28H44O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15,17,19,21-24,30-34H,3,7-11,13-14H2,1-2,4-6H3/t17-,19-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1 |
| InChIKey | OQDKHYZVFZGSRC-DWJOQFFMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Polyporus umbellatus (ncbitaxon:158314) | - | PubMed (18439824) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Polyporusterone B (CHEBI:168800) is a steroid (CHEBI:35341) |
| IUPAC Names |
|---|
| (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| (2S,3R,5R,9R,10R,13R,14S)-17-[(3R)-2,3-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |