Estra-4,9-diene-3,17-dione

C₁₈H₂₂O₂CAS 5173-46-6270.37 g/mol

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Properties

Molecular formula: C₁₈H₂₂O₂
Molar mass: 270.37 g/mol
Exact mass: 270.1620 Da
Melting point: 130–131 °C
logP: 3.76Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0
Stereocentres: S, S, Sin SMILES atom order

Identifiers

CAS number

5173-46-6

SMILES

C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O

InChIKey

BHTWZQKERRCPRZ-RYRKJORJSA-N

InChI

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-16H,2-9H2,1H3/t15-,16+,18+/m1/s1

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Names and synonyms

2 names

19-Norandrosta-4,9-diene-3,17-dione
Trena

Work with Estra-4,9-diene-3,17-dione

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

17β-Hydroxyestra-4,9-dien-3-one6218-29-758 % similar Trendione4642-95-954 % similar (+)-Estr-4-ene-3,17-dione734-32-751 % similar Dienogest65928-58-751 % similar Trimegestone74513-62-551 % similar Androstenedione63-05-849 % similar Androst-4-ene-3,6,17-trione2243-06-346 % similar 6-Methyleneandrost-4-ene-3,17-dione19457-55-745 % similar

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

Same formula

Trenbolone10161-33-8 Estrone53-16-7 4,4′-(1,3-Dimethylbutylidene)bis[phenol]6807-17-6 Dicumyl peroxide80-43-3 Hexestrol84-16-2

Elsewhere

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