(7,9b-Dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate (CHEBI:182437)

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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	(7,9b-Dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate

ChEBI ID	CHEBI:182437

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H32O6

Net Charge

Average Mass

380.481

Monoisotopic Mass

380.21989

InChI

InChI=1S/C21H32O6/c1-5-6-7-8-16(23)27-14-11-13-18(24)26-12-21(13,25)20(4)10-9-15(22)19(2,3)17(14)20/h11,14-15,17,22,25H,5-10,12H2,1-4H3

InChIKey

CCTUVGJRXQPMOJ-UHFFFAOYSA-N

SMILES

OC12C3(C(C(C(O)CC3)(C)C)C(OC(=O)CCCCC)C=C1C(OC2)=O)C

ChEBI Ontology
Outgoing	(7,9b-Dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate (CHEBI:182437) is a naphthofuran (CHEBI:39270)

IUPAC Name

(7,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl) hexanoate