5-α-pregnane-3,20-dione

5-α-pregnane-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+/m0/s1
InChIKey:
XMRPGKVKISIQBV-BJMCWZGWSA-N

Synonyms
  • 3,20-allopregnanedione
  • 3,20-dioxo-5-α-pregnane
  • 5-α-dihydroprogesterone

Databases
MetaCyc:  CPD-293
MetaboLights:  MTBLC28952
HMDB:  HMDB03759
ChemSpider:  83782
PubChem (CID):  92810
ChEBI:  28952
KEGG:  C03681
CAS:  566-65-4
RefMet:  5alpha-Pregnane-3,20-dione 5alpha-pregnane-3,20-dione
Seed:  cpd02312
MetaNetX:  MNXM1066