6-dehydro-virginiae butanolide A

Chemical Formula:

C₁₂H₂₀O₄

Molecular Weight:

228.288 Daltons

Monoisotopic Mass:

228.1361591304 Daltons

SMILES:

CC(C)CCCC(C1([CH](CO)COC(=O)1))=O

InChI:

1S/C12H20O4/c1-8(2)4-3-5-10(14)11-9(6-13)7-16-12(11)15/h8-9,11,13H,3-7H2,1-2H3/t9-,11?/m1/s1

InChIKey:

YSSMVENMLICSMX-BFHBGLAWSA-N

Synonyms

(4R)-4-(hydroxymethyl)-3-(5-methylhexanoyl)oxolan-2-one

Databases

MetaCyc: CPD-19936

PubChem (CID): 15109414