CHEBI:182898 - [14-acetyloxy-6-(furan-3-yl)-12-hydroxy-1,7,11,15,15-pentamethyl-5-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-18-yl] acetate

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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 [14-acetyloxy-6-(furan-3-yl)-12-hydroxy-1,7,11,15,15-pentamethyl-5-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-18-yl] acetate
ChEBI ID CHEBI:182898
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H40O8
Net Charge 0
Average Mass 528.642
Monoisotopic Mass 528.27232
InChI InChI=1S/C30H40O8/c1-15(31)36-21-13-20(33)28(6)18-8-10-27(5)23(17-9-11-35-14-17)24(34)25-30(27,38-25)29(18,7)22(37-16(2)32)12-19(28)26(21,3)4/h9,11,14,18-23,25,33H,8,10,12-13H2,1-7H3
InChIKey PVCLMZBWMWIHKX-UHFFFAOYSA-N
SMILES O1C23C4(C(C5(C(CC4OC(=O)C)C(C(OC(=O)C)CC5O)(C)C)C)CCC2(C(C(=O)C13)C=6C=COC6)C)C
ChEBI Ontology
Outgoing [14-acetyloxy-6-(furan-3-yl)-12-hydroxy-1,7,11,15,15-pentamethyl-5-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-18-yl] acetate (CHEBI:182898) is a limonoid (CHEBI:39434)
IUPAC Name
[14-acetyloxy-6-(uran-3-yl)-12-hydroxy-1,7,11,15,15-pentamethyl-5-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-18-yl] acetate
Manual Xref Database
22370255 ChemSpider
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