1,2-dihydrosantonin

Chemical Formula:

C₁₅H₂₀O₃

Molecular Weight:

248.321 Daltons

Monoisotopic Mass:

248.1412445083 Daltons

SMILES:

CC3(C1(C(C2(C(CC1)(C=CC(=C2C)O)C))OC(=O)3))

InChI:

1S/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,12-13,16H,4,6H2,1-3H3/t8-,10-,12?,13-,15-/m0/s1

InChIKey:

KTZIVFXVIOPPCI-UZDABKLJSA-N

Databases

MetaCyc: 12-DIHYDROSANTONIN

ChEBI: 16850

ChemSpider: 388855

PubChem (CID): 439802

KEGG: C02771

RefMet: 1,2-Dihydrosantonin

Seed: cpd01787

MetaNetX: MNXM2305