2alpha,3alpha-diepoxyeremophil-7(11)-en-12,8beta-olide (CHEBI:228116)

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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	2alpha,3alpha-diepoxyeremophil-7(11)-en-12,8beta-olide

ChEBI ID	CHEBI:228116

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O4

Net Charge

Average Mass

262.305

Monoisotopic Mass

262.12051

InChI

InChI=1S/C15H18O4/c1-6-8-4-14(3)7(2)10-11(18-10)12-15(14,19-12)5-9(8)17-13(6)16/h7,9-12H,4-5H2,1-3H3/t7-,9+,10-,11-,12-,14+,15-/m0/s1

InChIKey

YJVWICIPMQQZRB-NGCZNCKJSA-N

SMILES

O=C1O[C@@H]2C[C@]34O[C@H]3[C@H]5O[C@H]5[C@@H]([C@]4(CC2=C1C)C)C

ChEBI Ontology
Outgoing	2alpha,3alpha-diepoxyeremophil-7(11)-en-12,8beta-olide (CHEBI:228116) is a naphthofuran (CHEBI:39270)

IUPAC Name

(1R,3R,9R,10R,11S,13S,14S)-6,9,10-trimethyl-4,12,15-trioxapentacyclo[7.6.0.01,14.03,7.011,13]pentadec-6-en-5-one