Estradiene Dione-3-keta

Estradiene Dione-3-keta bmse001337 - Data

Estradiene Dione-3-keta synonyms

Wikipedia:

Graphical representations:

Estradiene

View large 3D structure

Molecular Formula: C20H26O3

Natural Isotopic Abundance Mass: 314.41864

Mono-Isotopic Molecular Masses:

  • C12N14: 314.188194692
  • C13N14: 334.255291452
  • C12N15: 314.188194692
  • C13N15: 334.255291452

InChI string: InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1

IUPAC: (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one

PubChem Compound (CID): 7076399

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)