11-Ketoetiocholanolone
11_ketoetiocholanolone synonyms
5beta-Androstane-11,17-dione, 3alpha-hydroxy- (8CI); 3alpha-Hydroxy-5beta-androstane-11,17-dione; Androstane-11,17-dione, 3-hydroxy-, (3alpha,5beta)- (9CI); Ba 2684; 3alpha-Hydroxy-11,17-dioxo-5beta-androstane; 11-Oxoaetiocholanolone; 11-Oxoetiocholanolone; 5beta-Androstan-3alpha-ol-11,17-dione; Etiocholanol-11-one; ZINC06067790
Graphical representations:
View large 3D structure
Molecular Formula: C19H28O3
Natural Isotopic Abundance Mass: 304.42382
Mono-Isotopic Molecular Masses:
- C12N14: 304.2038447651
- C13N14: 323.2675866833
- C12N15: 304.2038447651
- C13N15: 323.2675866833
InChI string: InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1
PubChem Compound (CID): 101850CAS Registry number: 739-27-5
MMCD: cq_16222
MDL number: MFCD00067593
KEGG Compound ID: C14552
CAS Registry number: 739-27-5
ChemSpider: 92021
ZINC: ZINC06067790
ChemIDplus: 0000739275
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)