Estradiol hemihydrate

CAS Registry Number®

35380-71-3
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CAS Name

Estradiol hemihydrate

Molecular Formula

C18H24O2.1/2H2O

Cite this Page

Estradiol hemihydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35380-71-3 (retrieved 2022-07-01) (CAS RN: 35380-71-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H24O2.H2O/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;1H2/t14-,15-,16+,17+,18+;/m1./s1

InChIKey

InChIKey=QJNCGXGNKJUDEM-CMZLOHJFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H].O

Canonical SMILES

O.OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, hydrate (2:1)
  • Estradiol hemihydrate
  • β-Estradiol semihydrate
  • β-Estradiol hemihydrate
  • Estrasorb