chempirical

17α-Estradiol

C18H24O2CAS 57-91-0272.39 g/mol

Open in Covalent MOL file
OHHO
AlcoholPhenol

Properties

Molecular formula
C18H24O2
Molar mass
272.39 g/mol
Exact mass
272.1776 Da
Melting point
221.5 °C
logP
3.61Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
S, S, R, S, Rin SMILES atom order

Identifiers

CAS number
57-91-0
SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O
InChIKey
VOXZDWNPVJITMN-SFFUCWETSA-N
InChI
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

Weigh it out

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

Names and synonyms

18 names · show all
  • Estra-1,3,5(10)-triene-3,17-diol, (17α)-
  • (17α)-Estra-1,3,5(10)-triene-3,17-diol
  • 3,17-Dihydroxyestratriene
  • 3,17α-Dihydroxyoestra-1,3,5(10)-triene
  • α-Estradiol
  • Estra-1,3,5(10)-triene-3,17α-diol
  • 1,3,5-Estratriene-3,17α-diol
  • Epiestradiol
  • Oestra-1,3,5(10)-triene-3,17α-diol
  • 3,17α-Dihydroxyestra-1,3,5(10)-triene
  • 17α-Oestradiol
  • 17-Epiestradiol
  • Epiestrol
  • 13β-Methyl-1,3,5(10)-gonatriene-3,17α-diol
  • Alfatradiol
  • NSC 20293
  • MITO 4509
  • MIGENIX

Work with 17α-Estradiol

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

Same formula

Estr-5(10)-ene-3,17-dione3962-66-1 Estradiol50-28-2 17β-Hydroxyestra-4,9-dien-3-one6218-29-7 (+)-Estr-4-ene-3,17-dione734-32-7

Elsewhere

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