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CHEBI:200503 - Hexatenuin C
| Formula | C35H52O8 |
| Net Charge | 0 |
| Average Mass | 600.793 |
| Monoisotopic Mass | 600.36622 |
| SMILES | COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CC(=O)C2(O)COC(=O)C2C)[C@@]1(C)CC3 |
| InChI | InChI=1S/C35H52O8/c1-20(17-26(36)35(40)19-42-30(39)21(35)2)22-11-15-34(7)24-9-10-25-31(3,4)27(43-29(38)18-28(37)41-8)13-14-32(25,5)23(24)12-16-33(22,34)6/h20-22,25,27,40H,9-19H2,1-8H3/t20-,21?,22-,25+,27-,32-,33-,34+,35?/m1/s1 |
| InChIKey | DRDDUVUGNFIAJG-ATCGUZJHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hexagonia tenuis (ncbitaxon:252822) | - | DOI (10.1016/j.tet.2014.09.013) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hexatenuin C (CHEBI:200503) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 3-O-[(3R,5R,10S,13R,14R,17R)-17-[(2R)-4-(3-hydroxy-4-methyl-5-oxooxolan-3-yl)-4-oxobutan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 1-O-methyl propanedioate |