(17Beta)-3-Oxoestra-4,6-dien-17-yl acetate

C₂₀H₂₆O₃CAS 2590-41-2314.43 g/mol

Open in Covalent MOL file

Alkene Ester Ketone

Properties

Molecular formula: C₂₀H₂₆O₃
Molar mass: 314.43 g/mol
Exact mass: 314.1882 Da
logP: 3.84Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1
Stereocentres: S, S, S, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2590-41-2

SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@H]34)C

InChIKey

OGUASZAAVFYYIL-XGXHKTLJSA-N

InChI

InChI=1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h3,5,11,15-19H,4,6-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

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Names and synonyms

1 names

Dehydronandrolon

Work with (17Beta)-3-Oxoestra-4,6-dien-17-yl acetate

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

Nandrolone acetate1425-10-166 % similar Trestolone acetate6157-87-559 % similar Testosterone 17-acetate1045-69-853 % similar Nandrolone cypionate601-63-849 % similar Nandrolone propionate7207-92-348 % similar 17β-Acetoxyandrosta-1,4-dien-3-one2363-59-947 % similar Methenolone acetate434-05-947 % similar Nandrolone laurate26490-31-345 % similar

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

Same formula

Estradiol 17-acetate1743-60-8 3,3-(Ethylenedioxy)estra-5(10),9(11)-dien-17-one5571-36-8

Elsewhere

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