5-β-pregnan-3,20 dione

Chemical Formula:

C₂₁H₃₂O₂

Molecular Weight:

316.483 Daltons

Monoisotopic Mass:

316.2402302714 Daltons

SMILES:

CC(=O)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C21H32O2/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/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1

InChIKey:

XMRPGKVKISIQBV-XWOJZHJZSA-N

Databases

MetaCyc: CPD-5962

DRUGBANK: DB07557

ChemSpider: 83723

PubChem (CID): 92745

KEGG: C05479

ChEBI: 30154

RefMet: 5beta-Pregnane-3,20-dione 5beta-pregnane-3,20-dione

Seed: cpd03260

MetaNetX: MNXM1534