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CHEBI:182407 - (1R,3R,8S,9R,10S,13S,16S,17R)-8-Tert-butyl-6,9,12,17-tetrahydroxy-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:182407
ChEBI Name(1R,3R,8S,9R,10S,13S,16S,17R)-8-Tert-butyl-6,9,12,17-tetrahydroxy-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
FormulaC20H24O11
Net Charge0
Average Mass440.401
Monoisotopic Mass440.13186
SMILES[H][C@@]1(C(C)(C)C)[C@@H](O)[C@@]2([H])OC(=O)[C@@]34OC5OC(=O)C(O)C51C32C(O)[C@]1([H])OC(=O)[C@@H](C)[C@@]14O
InChIInChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8?,9?,10-,11+,15?,17?,18?,19-,20-/m1/s1
InChIKeyAMOGMTLMADGEOQ-QHJZRUCDSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,3R,8S,9R,10S,13S,16S,17R)-8-Tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione (CHEBI:182407) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1R,3R,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-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
C07603KEGG COMPOUND
25016335ChemSpider