α-santonin

Chemical Formula:

C₁₅H₁₈O₃

Molecular Weight:

246.305 Daltons

Monoisotopic Mass:

246.1255944441 Daltons

SMILES:

CC3(C(=O)OC1(C(CCC2(C=CC(=O)C(C)=C12)C)3))

InChI:

1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3

InChIKey:

XJHDMGJURBVLLE-UHFFFAOYSA-N

Databases

MetaCyc: ALPHA-SANTONIN

ChemSpider: 4972

ChEBI: 478532

PubChem (CID): 5156

KEGG: C02206

NCI: 4900

Seed: cpd01488

MetaNetX: MNXM2211

CAS: 481-06-1