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Estradiol hemihydrate

Estradiol hemihydrate

  • CAT Number: A001240
  • CAS Number: 35380-71-3
  • Molecular Formula: C18H24O2 · 0.5H2O
  • Molecular Weight: 281.39
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Catalog Number A001240
CAS Number 35380-71-3
Molecular Formula

C18H24O2 · 0.5H2O

Purity 95%
Related CAS 50-28-2
IUPAC Name (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;hydrate
InChI InChI=1S/2C18H24O2.H2O/c2*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;/h2*3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1H2/t2*14-,15-,16+,17+,18+;/m11./s1
InChIKey ZVVGLAMWAQMPDR-WVEWYJOQSA-N
SMILES CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.O

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