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

C26H34O4CAS 23454-33-3410.55 g/mol

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AlkeneCarbonateKetone

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 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3
Stereocentres
S, S, S, Sin SMILES atom order

Hazards

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

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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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Names and synonyms

9 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
  • (17Beta)-17-(((Cyclohexylmethoxy)carbonyl)oxy)estra-4,9,11-trien-3-one

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

Similar compounds

(17β)-17-[(1-Oxoheptyl)oxy]estra-4,9,11-trien-3-one1629618-98-969 % similar Trenbolone acetate10161-34-968 % similar Trenbolone10161-33-858 % similar Trendione4642-95-948 % similar Methyltrienolone965-93-545 % similar Altrenogest850-52-242 % similar Gestrinone16320-04-039 % similar 9(10)-Dehydronandrolone6218-29-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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