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CHEBI:207578 - 4,4,14alpha-trimethyl-24-oxo-5alpha-chol-8-en-12-oic acid dimethylacetal
| Formula | C30H50O5 |
| Net Charge | 0 |
| Average Mass | 490.725 |
| Monoisotopic Mass | 490.36582 |
| SMILES | COC(CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)OC |
| InChI | InChI=1S/C30H50O5/c1-27(2)23-12-11-22-21(28(23,3)16-15-24(27)31)14-18-29(4)20(13-17-30(22,29)5)19(26(32)33)9-8-10-25(34-6)35-7/h19-20,23-25,31H,8-18H2,1-7H3,(H,32,33)/t19-,20-,23+,24+,28-,29-,30+/m1/s1 |
| InChIKey | JTJGKHHOGBSIFS-AKQGLDKGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gloeophyllum odoratum (ncbitaxon:139427) | - | DOI (10.1016/s0031-9422(00)00165-5) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,4,14alpha-trimethyl-24-oxo-5alpha-chol-8-en-12-oic acid dimethylacetal (CHEBI:207578) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6,6-dimethoxyhexanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442618 | ChemSpider |