chempirical

16α,17α-Epoxypregnenolone

C21H30O3CAS 974-23-2330.47 g/mol

Open in Covalent MOL file
OOOH
AlcoholAlkeneEpoxideEtherKetone

Properties

Molecular formula
C21H30O3
Molar mass
330.47 g/mol
Exact mass
330.2195 Da
Melting point
185–188 °C
logP
3.65Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
S, R, S, R, S, R, S, Sin SMILES atom order

Identifiers

CAS number
974-23-2
SMILES
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
InChIKey
UQVIXFCYKBWZPJ-XXHSLLPRSA-N
InChI
InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Pregn-5-en-20-one, 16,17-epoxy-3-hydroxy-, (3β,16α)-
  • Pregn-5-en-20-one, 16α,17-epoxy-3β-hydroxy-
  • 16,17-Epoxy-17H-cyclopenta[a]phenanthrene, pregn-5-en-20-one deriv.
  • (3β,16α)-16,17-Epoxy-3-hydroxypregn-5-en-20-one
  • 16α,17α-Oxidopregnenolone
  • 3β-Hydroxy-16α,17α-epoxy-5-pregnen-20-one
  • 16α,17-Epoxy-3β-hydroxypregn-5-en-20-one
  • 16α,17α-Epoxy-3β-hydroxy-5-pregnen-20-one
  • 5-Pregnen-16α,17α-epoxy-3β-ol-20-one
  • NSC 122401
  • 16,17α-Epoxypregnenolone
  • 16α,17α-Epoxypregn-5-en-3β-ol-20-one
  • 16a,17-Epoxy-3b-hydroxypregn-5-en-20-one

Work with 16α,17α-Epoxypregnenolone

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

(3β,16α)-3-(Acetyloxy)-16,17-epoxypregn-5-en-20-one34209-81-973 % similar 17-Hydroxypregnenolone387-79-168 % similar Methandriol521-10-858 % similar 16α,17α-Epoxyprogesterone1097-51-458 % similar Dehydroepiandrosterone53-43-058 % similar 16-Dehydropregnenolone1162-53-456 % similar Androstenediol521-17-554 % similar Pregnenolone145-13-154 % 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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