11-deoxycorticosterone

Chemical Formula:

C₂₁H₃₀O₃

Molecular Weight:

330.466 Daltons

Monoisotopic Mass:

330.2194948293 Daltons

SMILES:

CC34([CH]2(CCC1(C)([CH](CC[CH](C(=O)CO)1)[CH]2CCC3=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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1

InChIKey:

ZESRJSPZRDMNHY-YFWFAHHUSA-N

Synonyms

Databases

MetaCyc: 11-DEOXYCORTICOSTERONE

PubChem (CID): 6166

MetaboLights: MTBLC16973

HMDB: HMDB00016

LIPID MAPS: LMST02030087

ChemSpider: 4475589

ChEBI: 16973

KEGG: C03205

NCI: 604

RefMet: 11-Deoxycorticosterone 11-deoxycorticosterone

Seed: cpd02047

MetaNetX: MNXM849

CAS: 64-85-7

PupChem (SID): 6081

CHEMBL: CHEMBL1498

LIPIDBANK: SST0186

PDB-CCD: 1CA

NIKKAJI: J1.407I

3DMET: B01638