chempirical

16Alpha,17alpha-Epoxypregnenolone acetate

C23H32O4CAS 34209-81-9372.51 g/mol

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AlkeneEpoxideEsterEtherKetone

Properties

Molecular formula
C23H32O4
Molar mass
372.51 g/mol
Exact mass
372.2301 Da
Melting point
156–158 °C
logP
4.22Crippen estimate
Polar surface area
55.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2
Stereocentres
S, R, R, S, S, S, R, 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
34209-81-9
SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H]3O[C@]32C(C)=O)C1
InChIKey
YRLVTBXOGJMZNC-QHKUYLHMSA-N
InChI
InChI=1S/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • (3β,16α)-3-(Acetyloxy)-16,17-epoxypregn-5-en-20-one
  • Pregn-5-en-20-one, 3-(acetyloxy)-16,17-epoxy-, (3β,16α)-
  • Pregn-5-en-20-one, 16α,17-epoxy-3β-hydroxy-, acetate
  • 3β-Hydroxy-16α,17α-oxidopregn-5-en-20-one acetate
  • 3β-Acetoxy-16α,17-epoxypregnen-5-en-20-one
  • 3β-Acetoxy-16α,17-epoxypregn-5-en-20-one
  • 3β-Acetoxy-16α,17α-epoxypregn-5-en-20-one
  • 16α,17α-Epoxypregnenolone acetate
  • 16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate
  • NSC 21455
  • 3β-Acetoxy-16α,17α-epoxypregna-5-dien-20-one

Work with 16Alpha,17alpha-Epoxypregnenolone 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

16α,17α-Epoxypregnenolone974-23-273 % similar 3β-Acetoxyandrost-5-en-17-one853-23-663 % similar (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 acetate114611-53-961 % similar 16-Dehydropregnenolone acetate979-02-260 % similar 16Alpha,17alpha-Epoxyprogesterone1097-51-455 % similar (-)-Cholesteryl acetate604-35-353 % similar Abiraterone acetate154229-18-252 % similar 17-Hydroxypregnenolone387-79-149 % similar

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

Same formula

17-Acetoxyisopregn-4-ene-3,20-dione17308-02-0 Progesterone acetate302-23-8 Deoxycorticosterone acetate56-47-3

Elsewhere

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