((8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthren-17-yl) 3-cyclopentylpropanoate

C₂₇H₃₈O₃CAS 106505-90-2410.60 g/mol

Open in Covalent MOL file

Alkene Ester Ketone

Properties

Molecular formula: C₂₇H₃₈O₃
Molar mass: 410.60 g/mol
Exact mass: 410.2821 Da
logP: 6.18Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4
Stereocentres: S, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number

106505-90-2

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)C=C[C@]35C

InChIKey

QPMSXPMLTYTHGM-ZLQWOROUSA-N

InChI

InChI=1S/C27H38O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h13,15,17-18,21-24H,3-12,14,16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1

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Names and synonyms

1 names

Boldenone cypionate

Work with ((8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthren-17-yl) 3-cyclopentylpropanoate

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

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

Same formula

Norethisterone enanthate3836-23-5

Elsewhere

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