chempirical

Ethynodiol diacetate

C24H32O4CAS 297-76-7384.52 g/mol

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AlkeneAlkyneEster

Properties

Molecular formula
C24H32O4
Molar mass
384.52 g/mol
Exact mass
384.2301 Da
Melting point
142–146 °C
logP
4.43Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2
Stereocentres
R, S, R, S, R, S, Sin SMILES atom order

Identifiers

CAS number
297-76-7
SMILES
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChIKey
ONKUMRGIYFNPJW-KIEAKMPYSA-N
InChI
InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • Luto-metrodiol
  • β-Ethynodiol diacetate
  • Femulen
  • Continuin
  • Luteonorm
  • Etynodiol acetate
  • 19-Norpregn-4-en-20-yne-3,17-diol, 3,17-diacetate, (3β,17α)-
  • 19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3β,17α)-
  • 19-Nor-17α-pregn-4-en-20-yne-3β,17-diol, diacetate
  • SC 11800
  • Ethynodiol acetate
  • 17α-Ethynyl-4-estrene-3β,17β-diol diacetate
  • Metrodiol
  • Metrodiol, diacetate
  • 17α-Ethynyl-4-estren-3β,17-diol diacetate
  • Ethinodiol diacetate
  • 3β,17β-Diacetoxy-19-nor-17α-pregn-4-en-20-yne
  • 17-Ethynyl-19-norandrost-4-ene-3β,17β-diol diacetate
  • Cervicundin
  • 17α-Ethynyl-4-estrene-3β,17β-diacetate
  • 8080CB

Work with Ethynodiol diacetate

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

Norethisterone acetate51-98-971 % similar Norethisterone enanthate3836-23-551 % similar Norgestimate35189-28-750 % similar Norethindrone68-22-446 % similar Lynestrenol52-76-646 % similar Nestorone7759-35-540 % similar Nandrolone acetate1425-10-139 % similar Gestonorone2137-18-039 % similar

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

Same formula

Dimenformon dipropionate113-38-2 Resibufogenin465-39-4 Megestrol acetate595-33-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook