Beta-Estradiol
Beta_estradiol synonyms
17beta-oestradiol; Vagifem (TN); (17beta)-estra-1(10),2,4-triene-3,17-diol; Estrace (TN); Vivelle; Estring (TN); cis-estradiol; Vivelle (TN); estra-1,3,5(10)-triene-3,17beta-diol; Estrogel (TN); Estraderm (TN)
Graphical representations:
View large 3D structure
Molecular Formula: C18H24O2
Natural Isotopic Abundance Mass: 272.38196
Mono-Isotopic Molecular Masses:
- C12N14: 272.1776300146
- C13N14: 290.238017095
- C12N15: 272.1776300146
- C13N15: 290.238017095
InChI string: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
PubChem Compound (CID): 5757CAS Registry number: 50-28-2
Sigma-Aldrich: E8875_SIGMA
ChEBI: CHEBI:16469
EPA DSSTox: 57773
KEGG Compound ID: D00105
LipidMAPS: LMST02010001
BioCyc: CPD-352
MMCD: cq_00648
MDL: MFCD00003693
PDB Compound ID: EST
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)