methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate (CHEBI:181060)

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CHEBI:181060 - methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate

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ChEBI ID	CHEBI:181060
ChEBI Name	methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H26O6
Net Charge	0
Average Mass	374.433
Monoisotopic Mass	374.17294
SMILES	[H][C@]12CC=C[C@](O)(C(=O)OC)[C@]1(C)CC[C@]1([H])C(=O)O[C@H](c3ccoc3)C[C@]21C
InChI	InChI=1S/C21H26O6/c1-19-11-15(13-7-10-26-12-13)27-17(22)14(19)6-9-20(2)16(19)5-4-8-21(20,24)18(23)25-3/h4,7-8,10,12,14-16,24H,5-6,9,11H2,1-3H3/t14-,15+,16-,19+,20-,21+/m1/s1
InChIKey	WWNYZTBMVRRLJM-GOLBOHCDSA-N

ChEBI Ontology

Outgoing Relation(s)
	methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate (CHEBI:181060) is a diterpene lactone (CHEBI:49193)

IUPAC Name
methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(uran-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[]isochromene-7-carboxylate

Manual Xrefs	Databases
8627456	ChemSpider