(17β)-17-[[(Cyclohexylmethoxy)carbonyl]oxy]estra-4,9,11-trien-3-one

C₂₆H₃₄O₄CAS 23454-33-3410.55 g/mol

Open in Covalent MOL file

Ketone

Properties

Molecular formula: C₂₆H₃₄O₄
Molar mass: 410.55 g/mol
Exact mass: 410.2457 Da
Melting point: 90–95 °C
logP: 6.07Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Identifiers

CAS number

23454-33-3

SMILES

C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)OCC1CCCCC1

InChIKey

GQJSFWYQKNQCIK-APFRJGHOSA-N

InChI

InChI=1S/C26H34O4/c1-26-14-13-21-20-10-8-19(27)15-18(20)7-9-22(21)23(26)11-12-24(26)30-25(28)29-16-17-5-3-2-4-6-17/h13-15,17,22-24H,2-12,16H2,1H3/t22-,23+,24+,26+/m1/s1

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

Names and synonyms

8 names

Estra-4,9,11-trien-3-one, 17-[[(cyclohexylmethoxy)carbonyl]oxy]-, (17β)-
Estra-4,9,11-trien-3-one, 17β-hydroxy-, cyclohexylmethyl carbonate
Carbonic acid, cyclohexylmethyl ester, ester with 17β-hydroxyestra-4,9,11-trien-3-one
Cyclohexanemethanol, hydrogen carbonate, ester with 17β-hydroxyestra-4,9,11-trien-3-one
RU 2580
Trenbolone hexahydrobenzyl carbonate
Trenbolone cyclohexylmethyl carbonate
Parabolan

Work with (17β)-17-[[(Cyclohexylmethoxy)carbonyl]oxy]estra-4,9,11-trien-3-one

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

Elsewhere

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