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CHEBI:209748 - Pinicolol B
| Formula | C30H48O3 |
| Net Charge | 0 |
| Average Mass | 456.711 |
| Monoisotopic Mass | 456.36035 |
| SMILES | CC(C)=CCC[C@@H](CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C |
| InChI | InChI=1S/C30H48O3/c1-19(2)9-8-10-20(18-31)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,20,23-26,31-33H,8,10,12,14-18H2,1-7H3/t20-,23+,24-,25-,26-,28+,29+,30+/m0/s1 |
| InChIKey | SYYMLPJRZHTLKJ-LNISQLTRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis pinicola (ncbitaxon:40483) | - | DOI (10.1016/s0031-9422(99)00349-0) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pinicolol B (CHEBI:209748) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,5R,10S,13R,14R,15S,17R)-17-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol |
| Manual Xrefs | Databases |
|---|---|
| 10187853 | ChemSpider |