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CHEBI:213294 - 3alpha-(4-carboxymethyl-3-hydroxy-3-methylbutanoyloxy)-lanosta-8,24-dien-21-oic acid
| Formula | C37H58O7 |
| Net Charge | 0 |
| Average Mass | 614.864 |
| Monoisotopic Mass | 614.41825 |
| SMILES | COC(=O)CC(C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CCC2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3 |
| InChI | InChI=1S/C37H58O7/c1-23(2)11-10-12-24(32(40)41)25-15-19-37(8)27-13-14-28-33(3,4)29(44-31(39)22-34(5,42)21-30(38)43-9)17-18-35(28,6)26(27)16-20-36(25,37)7/h11,24-25,28-29,42H,10,12-22H2,1-9H3,(H,40,41)/t24-,25-,28?,29-,34?,35-,36-,37+/m1/s1 |
| InChIKey | SMFKZHQECCGQOH-KORAXWRNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis pinicola (ncbitaxon:40483) | - | DOI (10.1016/0031-9422(95)00762-8) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3alpha-(4-carboxymethyl-3-hydroxy-3-methylbutanoyloxy)-lanosta-8,24-dien-21-oic acid (CHEBI:213294) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(3R,10S,13R,14R,17R)-3-(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy-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 |
| Manual Xrefs | Databases |
|---|---|
| 8755056 | ChemSpider |