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CHEBI:203804 - Pinicolol C
| Formula | C30H46O3 |
| Net Charge | 0 |
| Average Mass | 454.695 |
| Monoisotopic Mass | 454.34470 |
| SMILES | CC(C)=CCC[C@@H](CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C |
| InChI | InChI=1S/C30H46O3/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/h9,11,13,20,23-24,26,31,33H,8,10,12,14-18H2,1-7H3/t20-,23+,24-,26-,28+,29+,30+/m0/s1 |
| InChIKey | KKEFNIPVRNZVIF-VIXUXDSXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gloeophyllum odoratum (ncbitaxon:139427) | - | DOI (10.1016/s0031-9422(00)00165-5) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pinicolol C (CHEBI:203804) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
| Manual Xrefs | Databases |
|---|---|
| 78442578 | ChemSpider |