chempirical

Algestone acetophenide

C29H36O4CAS 24356-94-3448.60 g/mol

Open in Covalent MOL file
OOOO
AcetalAlkeneEtherKetone

Properties

Molecular formula
C29H36O4
Molar mass
448.60 g/mol
Exact mass
448.2614 Da
Melting point
150.5 °C
logP
5.74Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2
Stereocentres
S, R, R, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
24356-94-3
SMILES
CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
InChIKey
AHBKIEXBQNRDNL-FVCOMRFXSA-N
InChI
InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28-,29-/m1/s1

Weigh it out

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

Names and synonyms

12 names
  • Pregn-4-ene-3,20-dione, 16,17-[[(1R)-1-phenylethylidene]bis(oxy)]-, (16α)-
  • Pregn-4-ene-3,20-dione, 16α,17-dihydroxy-, cyclic acetal with acetophenone, (R)-
  • Pregn-4-ene-3,20-dione, 16,17-[(1-phenylethylidene)bis(oxy)]-, [16α(R)]-
  • 2H-Naphth[1′,2′:6,7]indeno[1,2-d][1,3]dioxole, pregn-4-ene-3,20-dione deriv.
  • (16α)-16,17-[[(1R)-1-Phenylethylidene]bis(oxy)]pregn-4-ene-3,20-dione
  • Alphasone acetophenide
  • P-DHP
  • Deladroxone
  • Droxone
  • Dihydroxyprogesterone acetophenide
  • ZK 9349
  • Neolutin depositum

Work with Algestone acetophenide

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-Epoxyprogesterone1097-51-472 % similar 17β-Hydroxyprogesterone604-09-155 % similar 17α-Hydroxyprogesterone68-96-255 % similar Algestone595-77-753 % similar (11α,16α)-16,17-Epoxy-11-hydroxypregn-4-ene-3,20-dione19427-36-253 % similar 17-Acetoxyisopregn-4-ene-3,20-dione17308-02-052 % similar Progesterone acetate302-23-852 % similar Androst-4-en-17β-ol-3-one benzoate2088-71-349 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook