20-hydroxy-3-oxopregn-4-en-21-al

Chemical Formula:

C₂₁H₃₀O₃

Molecular Weight:

330.466 Daltons

Monoisotopic Mass:

330.2194948293 Daltons

SMILES:

CC34([CH]2([CH]([CH]1(C([CH](C([CH]=O)O)CC1)(CC2)C))CCC3=CC(=O)CC4))

InChI:

1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11-12,15-19,24H,3-10H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1

InChIKey:

HIXLXYQKUSOMDM-FYGMKCHKSA-N

Databases

MetaCyc: 20-HYDROXY-3-OXOPREGN-4-EN-21-AL

ChemSpider: 389209

PubChem (CID): 440224

ChEBI: 15690

KEGG: C04108

Seed: cpd02538

MetaNetX: MNXM4304