chempirical

Dydrogesterone

C21H28O2CAS 152-62-5312.45 g/mol

Open in Covalent MOL file
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AlkeneKetone

Properties

Molecular formula
C21H28O2
Molar mass
312.45 g/mol
Exact mass
312.2089 Da
Melting point
169–170 °C
logP
4.50Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1
Stereocentres
S, S, S, S, R, Sin SMILES atom order

Identifiers

CAS number
152-62-5
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-HQZYFCCVSA-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

21 names · show all
  • Pregna-4,6-diene-3,20-dione, (9β,10α)-
  • 9β,10α-Pregna-4,6-diene-3,20-dione
  • (9β,10α)-Pregna-4,6-diene-3,20-dione
  • 6-Dehydro-9β,10α-progesterone
  • 6α-Dehydro-retro-δ4-pregnene-3,20-dione
  • 6-Dehydroretroprogesterone
  • Diphaston
  • Hydrogesterone
  • Retro-6-dehydroprogesterone
  • Retroprogesterone, 6-dehydro-
  • Terolut
  • Isopregnenone
  • δ6-Retroprogesterone
  • Duphaston
  • Gestatron
  • Prodel
  • Retrone
  • Dufaston
  • Duvaron
  • Gynorest
  • NSC 92336

Work with Dydrogesterone

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 Pregna-4,6-diene-3,20-dione1162-56-7 Z-Guggulsterone39025-23-5 Ethisterone434-03-7 Tibolone5630-53-5 Norgestrel6533-00-2 Levonorgestrel797-63-7 Guggulsterone95975-55-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook