chempirical

Estradiol enanthate

C25H36O3CAS 4956-37-0384.56 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C25H36O3
Molar mass
384.56 g/mol
Exact mass
384.2664 Da
Melting point
94–96 °C
logP
6.13Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6
Stereocentres
S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
4956-37-0
SMILES
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
InChIKey
RFWTZQAOOLFXAY-BZDYCCQFSA-N
InChI
InChI=1S/C25H36O3/c1-3-4-5-6-7-24(27)28-23-13-12-22-21-10-8-17-16-18(26)9-11-19(17)20(21)14-15-25(22,23)2/h9,11,16,20-23,26H,3-8,10,12-15H2,1-2H3/t20-,21-,22+,23+,25+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-heptanoate
  • Estradiol, 17-heptanoate
  • Heptanoic acid, 3-hydroxyestra-1,3,5(10)-trien-17β-yl ester
  • SQ 16150
  • Estradiol 17-enanthate

Work with Estradiol enanthate

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 valerate979-32-893 % similar Estradiol cypionate313-06-479 % similar Estra-1,3,5(10)-triene-3,17β-diol 17-acetate1743-60-870 % similar Dimenformon dipropionate113-38-261 % similar Estradiol50-28-256 % similar 17α-Estradiol57-91-056 % similar Promestriene39219-28-854 % similar Estradiol hemihydrate35380-71-354 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook