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CHEBI:182760 - 3-Dehydroecdysone group
| Formula | C27H42O6 |
| Net Charge | 0 |
| Average Mass | 462.627 |
| Monoisotopic Mass | 462.29814 |
| SMILES | [H][C@@]12CC(=O)[C@@H](O)C[C@]1(C)C1CC[C@@]3(C)[C@@](O)(CC[C@]3([H])[C@H](C)[C@H](O)CCC(C)(C)O)C1=CC2=O |
| InChI | InChI=1S/C27H42O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,23,28,31-33H,6-11,13-14H2,1-5H3/t15-,16+,17?,19-,20+,23-,25+,26+,27+/m0/s1 |
| InChIKey | GDSSFVCRVUQMRG-IIRLTRAJSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Dehydroecdysone group (CHEBI:182760) is a bile acid (CHEBI:3098) |
| IUPAC Name |
|---|
| (2S,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione |