chempirical

Pregnenolone

C21H32O2CAS 145-13-1316.49 g/mol

Open in Covalent MOL file
OOH
AlcoholAlkeneKetone

Properties

Molecular formula
C21H32O2
Molar mass
316.49 g/mol
Exact mass
316.2402 Da
Melting point
192 °C
logP
4.52Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
S, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
145-13-1
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
ORNBQBCIOKFOEO-QGVNFLHTSA-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/h4,15-19,23H,5-12H2,1-3H3/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

28 names · show all
  • Pregn-5-en-20-one, 3-hydroxy-, (3β)-
  • Pregn-5-en-20-one, 3β-hydroxy-
  • (3β)-3-Hydroxypregn-5-en-20-one
  • Arthenolone
  • Enelone
  • 3β-Hydroxy-δ5-pregnen-20-one
  • 17β-[1-Ketoethyl]-δ5-androsten-3β-ol
  • Natolone
  • δ5-Pregnene-3β-ol-20-one
  • δ5-Pregnen-3β-ol-20-one
  • Pregn-5-en-3β-ol-20-one
  • Prenolon
  • Skinostelon
  • Pregnenolone (progesterone precursor)
  • 3β-Hydroxypregn-5-en-20-one
  • δ5-Pregnenolone
  • Bina-skin
  • Pregnetan
  • Pregneton
  • Pregnolon
  • Regnosone
  • Pregn-5-ene-3β-ol-20-one
  • 3β-Hydroxy-5-pregnene-20-one
  • 5-Pregnenolone
  • NSC 1616
  • NSC 18158
  • Pregnelon
  • 3β-Hydroxy-5-en-20-one

Work with Pregnenolone

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

Androstenediol521-17-570 % similar Pregnenolone acetate1778-02-569 % similar Cholenic acid5255-17-466 % similar Campesterol474-62-463 % similar Dehydroepiandrosterone53-43-062 % similar Cholesterol57-88-561 % similar 16-Dehydropregnenolone1162-53-460 % similar 25-Hydroxycholesterol2140-46-760 % similar

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

Same formula

5α-Dihydroprogesterone566-65-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia