chempirical

3β-Acetoxyandrost-5-en-17-one

C21H30O3CAS 853-23-6330.47 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
150 °C
logP
4.45Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1
Stereocentres
S, R, R, S, S, Sin SMILES atom order

Identifiers

CAS number
853-23-6
SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1
InChIKey
NCMZQTLCXHGLOK-ZKHIMWLXSA-N
InChI
InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

23 names · show all
  • Androst-5-en-17-one, 3-(acetyloxy)-, (3β)-
  • Androst-5-en-17-one, 3β-hydroxy-, acetate
  • (3β)-3-(Acetyloxy)androst-5-en-17-one
  • δ5-Dehydroepiandrosterone 3-acetate
  • Dehydroepiandrost-5-en-17-one 3-acetate
  • Dehydroisoandrosterone acetate
  • SKF 2847
  • 3β-Hydroxyandrost-5-en-17-one 3-acetate
  • 3β-Hydroxy-5-androsten-17-one acetate
  • trans-Dehydroandrosterone acetate
  • 5-Androsten-3β-ol-17-one acetate
  • 3β-Acetoxydehydroepiandrosterone
  • Androstenolone acetate
  • 17-Oxoandrost-5-en-3β-yl acetate
  • 3β-Hydroxy-5-androstene-17-one acetate
  • Dehydroepiandrosterone 3-acetate
  • Dehydroisoandrosterone 3-acetate
  • Prasterone acetate
  • 3β-Acetoxy-5-androstene-17-one
  • 3β-Acetyloxyandrost-5-en-17-one
  • DHEA acetate
  • Dehydroandrosterone acetate
  • 5-Androstene-3β-ol-17-one-3-acetate

Work with 3β-Acetoxyandrost-5-en-17-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

(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate114611-53-971 % similar 16-Dehydropregnenolone acetate979-02-270 % similar Sodium prasterone sulfate1099-87-266 % similar Pregnenolone acetate1778-02-566 % similar Dehydroepiandrosterone53-43-064 % similar (3β,16α)-3-(Acetyloxy)-16,17-epoxypregn-5-en-20-one34209-81-963 % similar (-)-Cholesteryl acetate604-35-361 % similar Abiraterone acetate154229-18-259 % 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 Trestolone acetate6157-87-5 11-Deoxycorticosterone64-85-7 17α-Hydroxyprogesterone68-96-2 Nandrolone propionate7207-92-3 11α-Hydroxyprogesterone80-75-1

Elsewhere

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