CHEBI:182453 - Methyl 13,15-diacetyloxy-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-7-carboxylate

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ChEBI Name Methyl 13,15-diacetyloxy-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-7-carboxylate
ChEBI ID CHEBI:182453
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40O10
Net Charge 0
Average Mass 536.618
Monoisotopic Mass 536.26215
InChI InChI=1S/C28H40O10/c1-13(29)35-18-12-19(36-14(2)30)26(6)15-9-10-25(5)20(22(32)34-8)37-23(33)21-28(25,38-21)27(15,7)17(31)11-16(26)24(18,3)4/h15-21,31H,9-12H2,1-8H3
InChIKey HJESSLHNQMBHEX-UHFFFAOYSA-N
SMILES O1C23C4(C(C5(C(CC4O)C(C(OC(=O)C)CC5OC(=O)C)(C)C)C)CCC2(C(OC(=O)C13)C(OC)=O)C)C
ChEBI Ontology
Outgoing Methyl 13,15-diacetyloxy-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-7-carboxylate (CHEBI:182453) is a organic heterotricyclic compound (CHEBI:26979)
Methyl 13,15-diacetyloxy-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-7-carboxylate (CHEBI:182453) is a organooxygen compound (CHEBI:36963)
IUPAC Name
methyl 13,15-diacetyloxy-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-7-carboxylate
Manual Xref Database
2594745 ChemSpider
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