chempirical

11α-Hydroxyprogesterone

C21H30O3CAS 80-75-1330.47 g/mol

Open in Covalent MOL file
OOOH
AlcoholAlkeneKetone

Properties

Molecular formula
C21H30O3
Molar mass
330.47 g/mol
Exact mass
330.2195 Da
Melting point
222 °C
logP
3.69Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
S, S, S, R, S, R, Sin SMILES atom order

Identifiers

CAS number
80-75-1
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
InChIKey
BFZHCUBIASXHPK-QJSKAATBSA-N
InChI
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,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

11 names
  • Pregn-4-ene-3,20-dione, 11-hydroxy-, (11α)-
  • Pregn-4-ene-3,20-dione, 11α-hydroxy-
  • Progesterone, 11α-hydroxy-
  • (11α)-11-Hydroxypregn-4-ene-3,20-dione
  • 11α-Hydroxypregn-4-ene-3,20-dione
  • Pregn-4-en-11α-ol-3,20-dione
  • U 0384
  • 4-Pregnene-11α-ol-3,20-dione
  • 11-Hydroxyprogesterone
  • DG 322B
  • NSC 3350

Work with 11α-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

Similar compounds

Corticosterone50-22-676 % similar Corticosterone acetate1173-26-872 % similar Progesterone57-83-068 % similar Pregn-4-ene-3,11,20-trione516-15-465 % similar Aldosterone52-39-160 % similar (17β)-3-Oxoandrost-4-ene-17-carboxylic acid302-97-656 % similar (11α,16α)-16,17-Epoxy-11-hydroxypregn-4-ene-3,20-dione19427-36-256 % similar Epitestosterone481-30-154 % 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 17β-Hydroxyprogesterone604-09-1 Trestolone acetate6157-87-5 11-Deoxycorticosterone64-85-7 17α-Hydroxyprogesterone68-96-2 Nandrolone propionate7207-92-3 (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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