chempirical

Promestriene

C22H32O2CAS 39219-28-8328.50 g/mol

Open in Covalent MOL file
OO
Ether

Properties

Molecular formula
C22H32O2
Molar mass
328.50 g/mol
Exact mass
328.2402 Da
logP
5.35Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4
Stereocentres
R, S, S, S, Sin SMILES atom order

Identifiers

CAS number
39219-28-8
SMILES
CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12
InChIKey
IUWKNLFTJBHTSD-AANPDWTMSA-N
InChI
InChI=1S/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • Estra-1,3,5(10)-triene, 17-methoxy-3-propoxy-, (17β)-
  • (17β)-17-Methoxy-3-propoxyestra-1,3,5(10)-triene
  • 3-Propoxy-17β-methoxyestra-1,3,5(10)-triene

Work with Promestriene

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

Dimenformon dipropionate113-38-259 % similar Estradiol enanthate4956-37-054 % similar Estradiol valerate979-32-854 % similar Estra-1,3,5(10)-triene-3,17β-diol 17-acetate1743-60-849 % similar Estradiol cypionate313-06-447 % similar Estradiol50-28-247 % similar 17α-Estradiol57-91-047 % similar Estradiol benzoate50-50-047 % similar

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

Same formula

Retinyl acetate127-47-9 4,7,10,13,16,19-Docosahexaenoic acid2091-24-9 3-Oxopregn-4-ene-20-carboxaldehyde24254-01-1 Docosahexaenoic acid6217-54-5

Elsewhere

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