CHEBI:201669 - Dihydropleuromutilin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dihydropleuromutilin
ChEBI ID CHEBI:201669
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O5
Net Charge 0
Average Mass 380.525
Monoisotopic Mass 380.25627
InChI InChI=1S/C22H36O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h13-14,16,18-19,23,26H,6-12H2,1-5H3
InChIKey RTOIPDPHQXGIRG-UHFFFAOYSA-N
SMILES O=C1C2C3(C(OC(=O)CO)CC(CC)(C)C(C(C2(CCC3C)CC1)C)O)C
ChEBI Ontology
Outgoing Dihydropleuromutilin (CHEBI:201669) is a carbotricyclic compound (CHEBI:38032)
Dihydropleuromutilin (CHEBI:201669) is a carboxylic ester (CHEBI:33308)
Dihydropleuromutilin (CHEBI:201669) is a cyclic ketone (CHEBI:3992)
IUPAC Name
[(2R,3S,4R,6R,8R,14R)-4-ethyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate
Manual Xref Database
23976739 ChemSpider
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