3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide (CHEBI:178472)

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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	3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide

ChEBI ID	CHEBI:178472

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H29ClO7

Net Charge

Average Mass

416.900

Monoisotopic Mass

416.16018

InChI

InChI=1S/C20H29ClO7/c1-9-14-15(27-17(24)19(5,25)11(3)21)18(4)10(2)13(22)7-6-12(18)8-20(14,26)28-16(9)23/h10-13,15,22,25-26H,6-8H2,1-5H3

InChIKey

IYBZGGXFPLMHRX-UHFFFAOYSA-N

SMILES

ClC(C(O)(C(OC1C2(C(CC3(OC(=O)C(=C13)C)O)CCC(O)C2C)C)=O)C)C

ChEBI Ontology
Outgoing	3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide (CHEBI:178472) is a terpene lactone (CHEBI:37668)

IUPAC Name

(6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) 3-chloro-2-hydroxy-2-methylbutanoate