17-Acetoxyisopregn-4-ene-3,20-dione

C23H32O4CAS 17308-02-0372.51 g/mol

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AlkeneEsterKetone

Properties

Molecular formula
C23H32O4
Molar mass
372.51 g/mol
Exact mass
372.2301 Da
Melting point
198 °C
logP
4.41Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2
Stereocentres
S, 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.

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Identifiers

CAS number
17308-02-0
SMILES
CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
VTHUYJIXSMGYOQ-DTILQVPTSA-N
InChI
InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19+,20+,21+,22+,23-/m1/s1

Weigh it out

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

Names and synonyms

2 names
  • Pregn-4-ene-3,20-dione, 17-(acetyloxy)-, (17α)-
  • 17α-Pregn-4-ene-3,20-dione, 17-hydroxy-, acetate

Work with 17-Acetoxyisopregn-4-ene-3,20-dione

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Progesterone acetate302-23-8Diastereomer

Similar compounds

Hydroxyprogesterone caproate630-56-873 % similar Medroxyprogesterone acetate71-58-971 % similar 17β-Hydroxyprogesterone604-09-169 % similar 17α-Hydroxyprogesterone68-96-269 % similar Megestrol acetate595-33-564 % similar 16Alpha,17alpha-Epoxyprogesterone1097-51-464 % similar 21-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-963 % similar Chlormadinone acetate302-22-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

16Alpha,17alpha-Epoxypregnenolone acetate34209-81-9 Deoxycorticosterone acetate56-47-3

Elsewhere

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