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CHEBI:182682 - (1R,2S,5R,8R,9R,10R,13R,17S)-9-hydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one

ChEBI IDCHEBI:182682
ChEBI Name(1R,2S,5R,8R,9R,10R,13R,17S)-9-hydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](O)[C@]1([H])OC(=O)[C@]2(C)CCC[C@@]3(C)[C@@]21[H]
InChIInChI=1S/C20H28O3/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3)15(18)14(16(20)21)23-17(19)22/h12-16,21H,1,4-10H2,2-3H3/t12-,13+,14-,15+,16+,18-,19-,20+/m1/s1
InChIKeyAHKUFTRUMQKIPH-VQFHSHCMSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,2S,5R,8R,9R,10R,13R,17S)-9-hydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one (CHEBI:182682) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1R,2S,5R,8R,9R,10R,13R,17S)-9-hydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
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