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CHEBI:172721 - Fasciculol C
| Formula | C30H52O6 |
| Net Charge | 0 |
| Average Mass | 508.740 |
| Monoisotopic Mass | 508.37639 |
| SMILES | [H][C@@]12CCC3=C(C[C@H](O)[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](CO)CC[C@@H](O)C(C)(C)O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C |
| InChI | InChI=1S/C30H52O6/c1-26(2)22-10-9-19-20(28(22,5)15-21(32)25(26)35)14-24(34)30(7)18(12-13-29(19,30)6)17(16-31)8-11-23(33)27(3,4)36/h17-18,21-25,31-36H,8-16H2,1-7H3/t17-,18+,21+,22-,23+,24-,25-,28+,29-,30-/m0/s1 |
| InChIKey | YRXIDKUVBPMNRA-YTOKZNHUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fasciculol C (CHEBI:172721) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R,3R,5R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol |
| Manual Xrefs | Databases |
|---|---|
| 19981901 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:65694-19-1 | ChemIDplus |