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:
Synonyms
- (4R)-4-(hydroxymethyl)-3-(5-methylhexanoyl)oxolan-2-one
Databases
MetaCyc:
CPD-19936
PubChem (CID):
15109414