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CHEBI:216035 - 11beta-ethoxydaedaleanic acid A

ChEBI IDCHEBI:216035
ChEBI Name11beta-ethoxydaedaleanic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O5
Net Charge0
Average Mass526.758
Monoisotopic Mass526.36582
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)c3ccc(C)c(CCC(=O)C(C)C)c3[C@@H](OCC)C[C@]12C)C(C)C
InChIInChI=1S/C33H50O5/c1-10-38-28-18-33(9)30(24(31(36)37)13-11-21(6)19(2)3)27(35)17-32(33,8)25-15-12-22(7)23(29(25)28)14-16-26(34)20(4)5/h12,15,19-20,24,27-28,30,35H,6,10-11,13-14,16-18H2,1-5,7-9H3,(H,36,37)/t24-,27-,28+,30+,32+,33-/m1/s1
InChIKeyFODATNQVSQLZFA-XJWRFWNJSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (30274339)
ChEBI Ontology
Outgoing Relation(s)
11beta-ethoxydaedaleanic acid A (CHEBI:216035) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R)-2-[(2R,3R,3aR,5S,9bR)-5-ethoxy-2-hydroxy-3a,7,9b-trimethyl-6-(4-methyl-3-oxopentyl)-2,3,4,5-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid