chempirical

Estriol

C18H24O3CAS 50-27-1288.39 g/mol

Open in Covalent MOL file
OHHOHO
AlcoholPhenol

Properties

Molecular formula
C18H24O3
Molar mass
288.39 g/mol
Exact mass
288.1725 Da
Density
1.27 g/mL
Melting point
282 °C
logP
2.58Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0
Stereocentres
S, S, R, S, R, Rin SMILES atom order

Identifiers

CAS number
50-27-1
SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O
InChIKey
PROQIPRRNZUXQM-ZXXIGWHRSA-N
InChI
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

34 names · show all
  • Estra-1,3,5(10)-triene-3,16,17-triol, (16α,17β)-
  • (16α,17β)-Estra-1,3,5(10)-triene-3,16,17-triol
  • Destriol
  • Estra-1,3,5(10)-triene-3,16α,17β-triol
  • Estratriol
  • Follicular hormone hydrate
  • OE3
  • Ovestin
  • Theelol
  • Tridestrin
  • 3,16α,17β-Trihydroxyestra-1,3,5(10)-triene
  • Trihydroxyestrin
  • 16α,17β-Estriol
  • 3,16α,17β-Estriol
  • NSC 12169
  • 16α-Estriol
  • 16α-Hydroxyestradiol
  • Holin V
  • 13β-Methyl-1,3,5(10)-gonatriene-3,16α,17β-triol
  • Oestriol
  • Colpogyn
  • Ortho-gynest
  • Gynasan
  • Aacifemine
  • Oekolp
  • Triovex
  • Hormomed
  • Klimoral
  • Klimax E
  • Ovesterin
  • Ovo-vinces
  • Incurin
  • Estriel
  • Ovestrion

Work with Estriol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Estradiol50-28-268 % similar 17α-Estradiol57-91-068 % similar Estradiol hemihydrate35380-71-364 % similar Estra-1,3,5(10)-triene-3,17β-diol 17-acetate1743-60-856 % similar Estra-1,3,5(10),16-tetraen-3-ol1150-90-955 % similar Estrone53-16-754 % similar Ethinylestradiol57-63-651 % similar Estradiol cypionate313-06-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia