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CHEBI:228313 - Methyl dehydroabietate

ChEBI IDCHEBI:228313
ChEBI NameMethyl dehydroabietate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O2
Net Charge0
Average Mass314.469
Monoisotopic Mass314.22458
SMILES[H][C@@]12CCc3cc(C(C)C)ccc3[C@@]1(C)CCC[C@@]2(C)C(=O)OC
InChIInChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1
InChIKeyPGZCJOPTDHWYES-HMXCVIKNSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl dehydroabietate (CHEBI:228313) is a diterpenoid (CHEBI:23849)
IUPAC Name 
methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
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