CHEBI:182424 - [6-Acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate

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ChEBI Name [6-Acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
ChEBI ID CHEBI:182424
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C27H42O10
Net Charge 0
Average Mass 526.623
Monoisotopic Mass 526.27780
InChI InChI=1S/C27H42O10/c1-15(2)8-22(29)33-12-19-13-34-26(37-24(31)10-17(5)6)25-20(19)11-21(36-18(7)28)27(25,32)14-35-23(30)9-16(3)4/h13,15-17,20-21,25-26,32H,8-12,14H2,1-7H3
InChIKey DCZPAFXGNAJXHQ-UHFFFAOYSA-N
SMILES OC1(C2C(CC1OC(=O)C)C(=COC2OC(=O)CC(C)C)COC(=O)CC(C)C)COC(=O)CC(C)C
ChEBI Ontology
Outgoing [6-Acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate (CHEBI:182424) has functional parent tetracarboxylic acid (CHEBI:35742)
[6-Acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate (CHEBI:182424) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
Manual Xref Database
22370352 ChemSpider
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