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CHEBI:208546 - Libertalide J

ChEBI IDCHEBI:208546
ChEBI NameLibertalide J
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FormulaC18H29ClO5
Net Charge0
Average Mass360.878
Monoisotopic Mass360.17035
SMILESCC(=O)OCCC(=O)[C@]1(C)[C@H]2CC[C@H](C)C[C@@H]2[C@H](Cl)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C18H29ClO5/c1-10-5-6-13-12(9-10)15(19)16(22)18(4,23)17(13,3)14(21)7-8-24-11(2)20/h10,12-13,15-16,22-23H,5-9H2,1-4H3/t10-,12-,13-,15-,16+,17-,18+/m0/s1
InChIKeyOYBVESAOVNAGHY-ITFVFLAVSA-N
ChEBI Ontology
Outgoing Relation(s)
Libertalide J (CHEBI:208546) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
[3-[(1R,2S,3S,4S,4aS,6S,8aS)-4-chloro-2,3-dihydroxy-1,2,6-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-oxopropyl] acetate
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