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CHEBI:228069 - Aperterpene O

ChEBI IDCHEBI:228069
ChEBI NameAperterpene O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O10
Net Charge0
Average Mass504.532
Monoisotopic Mass504.19955
SMILESC=C1C[C@@]2(O)[C@]3(C)CCC(=O)C(C)(C)[C@@]3(O)C(=O)C(=O)[C@]2(C)[C@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C
InChIInChI=1S/C26H32O10/c1-12-11-25(33)21(4)10-9-13(27)20(2,3)26(21,34)16(29)15(28)23(25,6)14-17(30)36-24(7,19(32)35-8)18(31)22(12,14)5/h14,33-34H,1,9-11H2,2-8H3/t14-,21-,22+,23-,24-,25+,26-/m0/s1
InChIKeyUXTSGZSCMMEVEW-GTBUNRJCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.phytol.2019.05.017)
ChEBI Ontology
Outgoing Relation(s)
Aperterpene O (CHEBI:228069) is a steroid lactone (CHEBI:26766)
IUPAC Name 
methyl (2S,4aS,4bR,6aR,10aS,10bR,12aS)-6a,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,6,8-pentaoxo-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-2-carboxylate
Manual XrefsDatabases
78315824ChemSpider