7-ethenyl-1,4a,7-trimethyl-6-oxo-2,3,4,8,8a,9,10,10a-octahydrophenanthrene-1-carboxylic acid (CHEBI:181291)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	7-ethenyl-1,4a,7-trimethyl-6-oxo-2,3,4,8,8a,9,10,10a-octahydrophenanthrene-1-carboxylic acid

ChEBI ID	CHEBI:181291

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H28O3

Net Charge

Average Mass

316.441

Monoisotopic Mass

316.20384

InChI

InChI=1S/C20H28O3/c1-5-18(2)12-13-7-8-15-19(3,14(13)11-16(18)21)9-6-10-20(15,4)17(22)23/h5,11,13,15H,1,6-10,12H2,2-4H3,(H,22,23)

InChIKey

VNOMXNULTAUIDL-UHFFFAOYSA-N

SMILES

OC(=O)C1(C2C(C=3C(CC2)CC(C(=O)C3)(C)C=C)(CCC1)C)C

ChEBI Ontology
Outgoing	7-ethenyl-1,4a,7-trimethyl-6-oxo-2,3,4,8,8a,9,10,10a-octahydrophenanthrene-1-carboxylic acid (CHEBI:181291) is a diterpenoid (CHEBI:23849)

IUPAC Name

7-ethenyl-1,4a,7-trimethyl-6-oxo-2,3,4,8,8a,9,10,10a-octahydrophenanthrene-1-carboxylic acid