chempirical

17-Hydroxypregnenolone

C21H32O3CAS 387-79-1332.48 g/mol

Open in Covalent MOL file
OHOOH
AlcoholAlkeneKetone

Properties

Molecular formula
C21H32O3
Molar mass
332.48 g/mol
Exact mass
332.2351 Da
Melting point
176–179 °C
logP
3.63Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
R, S, R, S, R, S, Sin SMILES atom order

Identifiers

CAS number
387-79-1
SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
JERGUCIJOXJXHF-TVWVXWENSA-N
InChI
InChI=1S/C21H32O3/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/h4,15-18,23-24H,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

9 names
  • Pregn-5-en-20-one, 3,17-dihydroxy-, (3β)-
  • Pregn-5-en-20-one, 3β,17-dihydroxy-
  • (3β)-3,17-Dihydroxypregn-5-en-20-one
  • 17α-Hydroxypregnenolone
  • 3β,17α-Dihydroxypregn-5-en-20-one
  • 17-Hydroxy-δ5-pregnenolone
  • 3β,17-Dihydroxy-5-pregnen-20-one
  • 5-Pregnen-3β,17α-diol-20-one
  • NSC 63853

Work with 17-Hydroxypregnenolone

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

16α,17α-Epoxypregnenolone974-23-268 % similar Methandriol521-10-867 % similar Dehydroepiandrosterone53-43-061 % similar 16-Dehydropregnenolone1162-53-459 % similar 17β-Hydroxyprogesterone604-09-157 % similar 17α-Hydroxyprogesterone68-96-257 % similar Pregnenolone145-13-156 % similar Androstenediol521-17-554 % similar

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

Same formula

(1R,2R,3As,9as)-2,3,3A,4,9,9A-hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[F]indene-2,5-diol101692-02-8 3β-Acetoxy-5α-androstan-17-one1239-31-2 [10]-Shogaol36752-54-2 17β-Hydroxy-2-(hydroxymethylene)-17-methyl-5α-androstan-3-one434-07-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook