(1,9,9b-Trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate (CHEBI:181602)

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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	(1,9,9b-Trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate

ChEBI ID	CHEBI:181602

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H34O6

Net Charge

Average Mass

382.497

Monoisotopic Mass

382.23554

InChI

InChI=1S/C21H34O6/c1-5-6-7-8-16(23)27-14-11-13-12-26-18(24)21(13,25)20(4)15(22)9-10-19(2,3)17(14)20/h11,14-15,17-18,22,24-25H,5-10,12H2,1-4H3

InChIKey

GFMGOVRWOOAPMN-UHFFFAOYSA-N

SMILES

OC12C3(C(C(CCC3O)(C)C)C(OC(=O)CCCCC)C=C1COC2O)C

ChEBI Ontology
Outgoing	(1,9,9b-Trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate (CHEBI:181602) is a naphthofuran (CHEBI:39270)

IUPAC Name

(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl) hexanoate