chempirical

16Alpha,17alpha-Epoxyprogesterone

C21H28O3CAS 1097-51-4328.45 g/mol

Open in Covalent MOL file
OOO
AlkeneEpoxideEtherKetone

Properties

Molecular formula
C21H28O3
Molar mass
328.45 g/mol
Exact mass
328.2038 Da
Melting point
205–207 °C
logP
3.85Crippen estimate
Polar surface area
46.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1
Stereocentres
S, R, S, R, R, 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
1097-51-4
SMILES
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
InChIKey
LHNVKVKZPHUYQO-SRWWVFQWSA-N
InChI
InChI=1S/C21H28O3/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/h10,15-18H,4-9,11H2,1-3H3/t15-,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

11 names
  • 16α,17α-Epoxyprogesterone
  • Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16α)-
  • Pregn-4-ene-3,20-dione, 16α,17-epoxy-
  • Progesterone, 16α,17-epoxy-
  • (16α)-16,17-Epoxypregn-4-ene-3,20-dione
  • 16α,17α-Oxidopregn-4-ene-3,20-dione
  • 16α,17α-Oxidoprogesterone
  • 16α,17-Epoxypregn-4-ene-3,20-dione
  • 16α,17α-Epoxy-4-pregnene-3,20-dione
  • 16α,17-Epoxyprogesterone
  • NSC 18315

Work with 16Alpha,17alpha-Epoxyprogesterone

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

Algestone acetophenide24356-94-372 % similar (11α,16α)-16,17-Epoxy-11-hydroxypregn-4-ene-3,20-dione19427-36-270 % similar Algestone595-77-766 % similar 17β-Hydroxyprogesterone604-09-166 % similar 17α-Hydroxyprogesterone68-96-266 % similar 17-Acetoxyisopregn-4-ene-3,20-dione17308-02-064 % similar Progesterone acetate302-23-864 % similar Methyltestosterone58-18-459 % similar

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

Same formula

17β-Acetoxyandrosta-1,4-dien-3-one2363-59-9 Pregn-4-ene-3,11,20-trione516-15-4 Nomegestrol58691-88-6 Methyl 13-cis-4-Oxoretinoate71748-57-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook