CHEBI:202179 - 20-Nor-3alpha-acetoxy-abieta-5,7,9,11,13-pentaene

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ChEBI Name 20-Nor-3alpha-acetoxy-abieta-5,7,9,11,13-pentaene
ChEBI ID CHEBI:202179
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H26O2
Net Charge 0
Average Mass 310.437
Monoisotopic Mass 310.19328
InChI InChI=1S/C21H26O2/c1-13(2)15-6-8-17-16(12-15)7-10-19-18(17)9-11-20(21(19,4)5)23-14(3)22/h6-8,10,12-13,20H,9,11H2,1-5H3/t20-/m1/s1
InChIKey JWXNHJCJMZWIQI-HXUWFJFHSA-N
SMILES O=C(O[C@H]1C(C2=C(C=3C(=CC(C(C)C)=CC3)C=C2)CC1)(C)C)C
Metabolite of Species Details
Microcoleus (NCBI:txid44471) See: PubMed
ChEBI Ontology
Outgoing 20-Nor-3alpha-acetoxy-abieta-5,7,9,11,13-pentaene (CHEBI:202179) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(2R)-1,1-dimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-2-yl] acetate
Manual Xref Database
78439639 ChemSpider
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