pregna-4,9(11)-diene-3,20-dione

Chemical Formula:

C₂₁H₂₈O₂

Molecular Weight:

312.451 Daltons

Monoisotopic Mass:

312.208930143 Daltons

SMILES:

CC(=O)C2(CCC3(C4(CCC1(=CC(=O)CCC(C)1C(=CCC(C)23)4))))

InChI:

1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,12,16-18H,4-8,10-11H2,1-3H3/t16?,17?,18?,20-,21+/m0/s1

InChIKey:

LCXMRSLFWMMCAS-GAYSYORFSA-N

Databases

MetaCyc: PREGNA-4911-DIENE-320-DIONE

ChEBI: 16744

ChemSpider: 389203

PubChem (CID): 440218

KEGG: C04084

Seed: cpd02527

MetaNetX: MNXM4087