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CHEBI:182397 - (1R,3R,8S,9R,10S,13S,16S,17R)-8-Tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

ChEBI IDCHEBI:182397
ChEBI Name(1R,3R,8S,9R,10S,13S,16S,17R)-8-Tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O10
Net Charge0
Average Mass424.402
Monoisotopic Mass424.13695
SMILES[H][C@@]1(C(C)(C)C)[C@@H](O)[C@@]2([H])OC(=O)[C@@]34OC5OC(=O)C(O)C51C32C[C@]1([H])OC(=O)[C@@H](C)[C@]41O
InChIInChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10?,11-,15?,17?,18?,19-,20-/m1/s1
InChIKeyLMEHVEUFNRJAAV-NPYOXPOHSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,3R,8S,9R,10S,13S,16S,17R)-8-Tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione (CHEBI:182397) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1R,3R,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Manual XrefsDatabases
23121721ChemSpider
C07604KEGG COMPOUND