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CHEBI:208580 - Libertalide B

ChEBI IDCHEBI:208580
ChEBI NameLibertalide B
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FormulaC14H22O3
Net Charge0
Average Mass238.327
Monoisotopic Mass238.15689
SMILESC[C@H]1CC[C@H]2[C@@H](C=C[C@@](C)(O)[C@]2(C)C(=O)O)C1
InChIInChI=1S/C14H22O3/c1-9-4-5-11-10(8-9)6-7-13(2,17)14(11,3)12(15)16/h6-7,9-11,17H,4-5,8H2,1-3H3,(H,15,16)/t9-,10-,11-,13+,14-/m0/s1
InChIKeyQGAODQMXOPDFLY-JZKMBYMZSA-N
ChEBI Ontology
Outgoing Relation(s)
Libertalide B (CHEBI:208580) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,2R,4aR,6S,8aS)-2-hydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid
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78439028ChemSpider