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CHEBI:201764 - 3beta-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid
| Formula | C29H42O5 |
| Net Charge | 0 |
| Average Mass | 470.650 |
| Monoisotopic Mass | 470.30322 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)C(=O)C[C@H](O)[C@@H](C(=O)O)[C@@H]1CC3)C(C)C |
| InChI | InChI=1S/C29H42O5/c1-15(2)16(3)7-8-17(4)19-11-12-20-18-9-10-21-25(27(33)34)22(30)13-24(32)29(21,6)26(18)23(31)14-28(19,20)5/h15,17,19-22,25,30H,3,7-14H2,1-2,4-6H3,(H,33,34)/t17-,19-,20+,21+,22+,25+,28-,29-/m1/s1 |
| InChIKey | MCQNBADNXHETRN-IIDSXYMRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Amorphotheca resinae (ncbitaxon:5101) | - | DOI (10.1016/s0040-4039(03)01808-2) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3beta-hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid (CHEBI:201764) is a ergostanoid (CHEBI:50403) |
| IUPAC Name |
|---|
| (3S,4S,5S,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,11-dioxo-3,4,5,6,7,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthrene-4-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 8157769 | ChemSpider |