Pregna-4,6-diene-3,20-dione

C₂₁H₂₈O₂CAS 1162-56-7312.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₂₈O₂
Molar mass: 312.45 g/mol
Exact mass: 312.2089 Da
Melting point: 147–148 °C
logP: 4.50Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1
Stereocentres: S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number

1162-56-7

SMILES

CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey

JGMOKGBVKVMRFX-LEKSSAKUSA-N

InChI

InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1

Weigh it out

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

Names and synonyms

2 names

6-Dehydroprogesterone
δ6-Progesterone

Work with Pregna-4,6-diene-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

Similar compounds

Progesterone57-83-061 % similar Canrenone976-71-652 % similar Pregn-4-ene-3,11,20-trione516-15-451 % similar 11α-Hydroxyprogesterone80-75-151 % similar Canrenoate potassium2181-04-648 % similar (17β)-3-Oxoandrost-4-ene-17-carboxylic acid302-97-648 % similar Pregnenolone145-13-144 % similar Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate2681-55-244 % similar

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

Same formula

Pregna-4,16-diene-3,20-dione1096-38-4 Dydrogesterone152-62-5 Z-Guggulsterone39025-23-5 Ethisterone434-03-7 Tibolone5630-53-5 Norgestrel6533-00-2 Levonorgestrel797-63-7 Guggulsterone95975-55-6

Elsewhere

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