chempirical

Estradiol valerate

C23H32O3CAS 979-32-8356.51 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C23H32O3
Molar mass
356.51 g/mol
Exact mass
356.2351 Da
Melting point
144–145 °C
logP
5.35Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
979-32-8
SMILES
CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
InChIKey
RSEPBGGWRJCQGY-RBRWEJTLSA-N
InChI
InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1

Weigh it out

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

Names and synonyms

31 names · show all
  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-pentanoate
  • Estradiol, 17-valerate
  • Delahormone unimatic
  • Delestrogen 4x
  • Estra-1,3,5(10)-triene-3,17β-diol 17-valerate
  • Estradiol 17β-valerate
  • Estradiol valerianate
  • Progynon-depot
  • 3-Hydroxy-17β-valeroyloxyestra-1,3,5(10)-triene
  • Atladiol
  • Deladiol
  • Progynova
  • Estraval
  • Femogex
  • Neofollin
  • Pharlon
  • Dura-estradiol
  • Delestrogen
  • Primogyn-depot
  • Nuvelle
  • Oestradiol valerinate
  • Pelanin depot
  • Gynogen LA
  • Gynogen LA 40
  • NSC 17590
  • Valergen
  • Climaval
  • Primofol-depot
  • Gynokadin
  • Meriestra
  • Valest

Work with Estradiol valerate

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

Estradiol enanthate4956-37-093 % similar Estradiol cypionate313-06-481 % similar Estra-1,3,5(10)-triene-3,17β-diol 17-acetate1743-60-872 % similar Dimenformon dipropionate113-38-262 % similar Estradiol50-28-258 % similar 17α-Estradiol57-91-058 % similar Estradiol hemihydrate35380-71-355 % similar Estrone53-16-754 % similar

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

Same formula

16-Dehydropregnenolone acetate979-02-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook