(20S)-17,20-dihydroxypregn-4-en-3-one

Chemical Formula:

C₂₁H₃₂O₃

Molecular Weight:

332.482 Daltons

Monoisotopic Mass:

332.2351448935 Daltons

SMILES:

CC(O)C1(O)(CC[CH]3(C(C)1CC[CH]4(C2(C)(CCC(=O)C=C2CC[CH]34))))

InChI:

1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1

InChIKey:

MASCESDECGBIBB-HNXXTFFGSA-N

Synonyms

17α,20α-dihydroxypregn-4-en-3-one

Databases

MetaCyc: 17-ALPHA20-ALPHA-DIHYDROXYPREGN-4-EN-3-

HMDB: HMDB11653

ChemSpider: 389326

PubChem (CID): 440368

ChEBI: 16418

KEGG: C04518

CAS: 652-69-7

Seed: cpd02750

MetaNetX: MNXM4255