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Trendione

C18H20O2CAS 4642-95-9268.36 g/mol

Open in Covalent MOL file
OO
AlkeneKetone

Properties

Molecular formula
C18H20O2
Molar mass
268.36 g/mol
Exact mass
268.1463 Da
Melting point
140 °C
logP
3.54Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0
Stereocentres
S, S, Sin SMILES atom order

Hazards

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

Identifiers

CAS number
4642-95-9
SMILES
C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O
InChIKey
KBSXJBBFQODDTQ-RYRKJORJSA-N
InChI
InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-16H,2-7H2,1H3/t15-,16+,18+/m1/s1

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Names and synonyms

3 names
  • Estra-4,9,11-triene-3,17-dione
  • 10758-25A
  • RU 2065

Work with Trendione

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

Trenbolone10161-33-859 % similar Methyltrienolone965-93-557 % similar Trenbolone acetate10161-34-954 % similar Estra-4,9-diene-3,17-dione5173-46-654 % similar Altrenogest850-52-252 % similar (17β)-17-[(1-Oxoheptyl)oxy]estra-4,9,11-trien-3-one1629618-98-948 % similar Gestrinone16320-04-048 % similar (17β)-17-[[(Cyclohexylmethoxy)carbonyl]oxy]estra-4,9,11-trien-3-one23454-33-348 % similar

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

Same formula

tert-Butyl 4'-methylbiphenyl-2-carboxylate114772-36-0 Benzoin isobutyl ether22499-12-3 Equilin474-86-2 Ethyl 2,4-diphenylbutanoate53608-81-4 Diethylstilbestrol56-53-1 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-4 Diethylstilbestrol6898-97-1 Bisphenol Z843-55-0

Elsewhere

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