chempirical

Trestolone acetate

C21H30O3CAS 6157-87-5330.47 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetone

Properties

Molecular formula
C21H30O3
Molar mass
330.47 g/mol
Exact mass
330.2195 Da
Melting point
111–114 °C
logP
4.31Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1
Stereocentres
S, S, R, S, S, R, Rin 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
6157-87-5
SMILES
CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@H]1CCC(=O)C=C1C[C@H]3C
InChIKey
IVCRCPJOLWECJU-XQVQQVTHSA-N
InChI
InChI=1S/C21H30O3/c1-12-10-14-11-15(23)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)24-13(2)22/h11-12,16-20H,4-10H2,1-3H3/t12-,16+,17-,18+,19+,20-,21+/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • Estr-4-en-3-one, 17-(acetyloxy)-7-methyl-, (7α,17β)-
  • Estr-4-en-3-one, 17β-hydroxy-7α-methyl-, acetate
  • (7α,17β)-17-(Acetyloxy)-7-methylestr-4-en-3-one
  • U 15614
  • NSC 69948
  • 7α-Methyl-19-nortestosterone acetate

Work with Trestolone acetate

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

Nandrolone acetate1425-10-172 % similar MENT3764-87-268 % similar (17Beta)-3-Oxoestra-4,6-dien-17-yl acetate2590-41-259 % similar Mibolerone3704-09-454 % similar Nandrolone cypionate601-63-851 % similar Nandrolone laurate26490-31-350 % similar Nandrolone decanoate360-70-350 % similar Nandrolone undecanoate862-89-550 % similar

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

Same formula

Testosterone 17-acetate1045-69-8 Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate2681-55-2 17β-Hydroxyprogesterone604-09-1 11-Deoxycorticosterone64-85-7 17α-Hydroxyprogesterone68-96-2 Nandrolone propionate7207-92-3 11α-Hydroxyprogesterone80-75-1 (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one82543-16-6

Elsewhere

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