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CHEBI:175828 - Tsugaric acid A
| Formula | C32H50O4 |
| Net Charge | 0 |
| Average Mass | 498.748 |
| Monoisotopic Mass | 498.37091 |
| SMILES | [H][C@@]12CCC3=C(CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C |
| InChI | InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22-,23-,26+,27+,30-,31-,32+/m1/s1 |
| InChIKey | FIWGZIBLJWZUEA-NFOHWCJDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma tsugae (ncbitaxon:34467) | - | DOI (10.1016/s0031-9422(97)00387-7) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tsugaric acid A (CHEBI:175828) is a triterpenoid (CHEBI:36615) |
| IUPAC Names |
|---|
| (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid |
| (2R)-2-[(3R,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid |