(17β)-17-[(1-Oxoheptyl)oxy]estra-4,9,11-trien-3-one

C₂₅H₃₄O₃CAS 1629618-98-9382.54 g/mol

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Alkene Ester Ketone

Properties

Molecular formula: C₂₅H₃₄O₃
Molar mass: 382.54 g/mol
Exact mass: 382.2508 Da
logP: 5.85Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6
Stereocentres: S, S, S, Sin SMILES atom order

Hazards

Danger

H351 Suspected of causing cancer100% of notifiers
H360 May damage fertility or the unborn child100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

1629618-98-9

SMILES

CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C

InChIKey

HGSFRISGULOJBX-FVEXOFTDSA-N

InChI

InChI=1S/C25H34O3/c1-3-4-5-6-7-24(27)28-23-13-12-22-21-10-8-17-16-18(26)9-11-19(17)20(21)14-15-25(22,23)2/h14-16,21-23H,3-13H2,1-2H3/t21-,22+,23+,25+/m1/s1

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

Names and synonyms

1 names

Estra-4,9,11-trien-3-one, 17-[(1-oxoheptyl)oxy]-, (17β)-

Work with (17β)-17-[(1-Oxoheptyl)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

Trenbolone acetate10161-34-969 % similar (17β)-17-[[(Cyclohexylmethoxy)carbonyl]oxy]estra-4,9,11-trien-3-one23454-33-369 % similar Trenbolone10161-33-859 % similar Nandrolone laurate26490-31-349 % similar Nandrolone decanoate360-70-349 % similar Nandrolone undecanoate862-89-549 % similar Trendione4642-95-948 % similar Methyltrienolone965-93-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Hydroxy-4-dodecyloxybenzophenone2985-59-3 Decanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester848484-93-5

Elsewhere

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