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

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

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ChEBI ID	CHEBI:202179
ChEBI Name	20-Nor-3alpha-acetoxy-abieta-5,7,9,11,13-pentaene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H26O2
Net Charge	0
Average Mass	310.437
Monoisotopic Mass	310.19328
SMILES	CC(=O)O[C@@H]1CCc2c(ccc3cc(C(C)C)ccc23)C1(C)C
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

Species of Metabolite	Component	Source	Comments
Microcoleus (ncbitaxon:44471)	-	PubMed (18404301)

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
78439639	ChemSpider