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CHEBI:208771 - 5alpha,8alpha-peroxydehydrotumulosic acid
| Formula | C31H46O6 |
| Net Charge | 0 |
| Average Mass | 514.703 |
| Monoisotopic Mass | 514.32944 |
| SMILES | C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)[C@]34C=C[C@@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]12C)C(C)C |
| InChI | InChI=1S/C31H46O6/c1-18(2)19(3)9-10-20(25(34)35)24-21(32)17-29(8)28(24,7)13-11-22-27(6)14-12-23(33)26(4,5)31(27)16-15-30(22,29)36-37-31/h11,15-16,18,20-21,23-24,32-33H,3,9-10,12-14,17H2,1-2,4-8H3,(H,34,35)/t20-,21-,23+,24+,27-,28-,29-,30-,31-/m1/s1 |
| InChIKey | NWPSXIIQUKYLPR-WEBPQRFCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Wolfiporia cocos (ncbitaxon:81056) | - | PubMed (17488130) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5alpha,8alpha-peroxydehydrotumulosic acid (CHEBI:208771) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(1S,2R,4R,5R,6R,10R,13S,15S)-4,13-dihydroxy-2,6,10,14,14-pentamethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-5-yl]-6-methyl-5-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 24654309 | ChemSpider |