chempirical

5α-Dihydroprogesterone

C21H32O2CAS 566-65-4316.49 g/mol

Open in Covalent MOL file
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Ketone

Properties

Molecular formula
C21H32O2
Molar mass
316.49 g/mol
Exact mass
316.2402 Da
Melting point
200 °C
logP
4.80Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1
Stereocentres
S, S, R, S, S, S, Sin SMILES atom order

Identifiers

CAS number
566-65-4
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
XMRPGKVKISIQBV-BJMCWZGWSA-N
InChI
InChI=1S/C21H32O2/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/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • Pregnane-3,20-dione, (5α)-
  • 5α-Pregnanedione
  • (5α)-Pregnane-3,20-dione
  • 3,20-Allopregnanedione
  • 3,20-Dioxo-5α-pregnane
  • NSC 18319
  • (+)-(5α)-Pregnane-3,20-dione
  • 5α-Dihydro-P4

Work with 5α-Dihydroprogesterone

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

Dihydrotestosterone521-18-667 % similar 3α-Hydroxy-5α-pregnan-20-one516-54-164 % similar Isopregnanolone516-55-264 % similar Androstanedione846-46-859 % similar Androstenone18339-16-757 % similar Mestanolone521-11-957 % similar Progesterone57-83-051 % similar 3-Oxo-4-aza-5α-androstane-17β-carboxylic acid103335-55-345 % similar

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

Same formula

Pregnenolone145-13-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia