chempirical

17β-Hydroxyprogesterone

C21H30O3CAS 604-09-1330.47 g/mol

Open in Covalent MOL file
OHOO
AlcoholAlkeneKetone

Properties

Molecular formula
C21H30O3
Molar mass
330.47 g/mol
Exact mass
330.2195 Da
Melting point
212–215 °C
logP
3.84Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
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. Search the SDS library

Identifiers

CAS number
604-09-1
SMILES
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
DBPWSSGDRRHUNT-SJFWLOONSA-N
InChI
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • Pregn-4-ene-3,20-dione, 17-hydroxy-, (17α)-
  • 17α-Pregn-4-ene-3,20-dione, 17-hydroxy-
  • (17α)-17-Hydroxypregn-4-ene-3,20-dione
  • 17β-Hydroxy-17α-pregn-4-ene-3,20-dione
  • 17-Hydroxyisopregn-4-en-3,20-dione
  • Pregn-4-ene-17α-hydroxy-3,20-dione

Work with 17β-Hydroxyprogesterone

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.

17α-Hydroxyprogesterone68-96-2Diastereomer

Similar compounds

21-Deoxycortisone1882-82-275 % similar 11-Deoxycortisol152-58-975 % similar 21-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-970 % similar Methyltestosterone58-18-470 % similar 17-Acetoxyisopregn-4-ene-3,20-dione17308-02-069 % similar Progesterone acetate302-23-869 % similar Medroxyprogesterone520-85-469 % similar Algestone595-77-768 % similar

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

Same formula

Testosterone 17-acetate1045-69-8 Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate2681-55-2 Trestolone acetate6157-87-5 11-Deoxycorticosterone64-85-7 Nandrolone propionate7207-92-3 11α-Hydroxyprogesterone80-75-1 (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one82543-16-6

Elsewhere

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