16-Dehydropregnenolone

C21H30O2CAS 1162-53-4314.47 g/mol

Open in Covalent MOL file
OOH
AlcoholAlkeneKetone

Properties

Molecular formula
C21H30O2
Molar mass
314.47 g/mol
Exact mass
314.2246 Da
Melting point
212–214 °C
logP
4.44Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
S, R, S, 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
1162-53-4
SMILES
CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
YLFRRPUBVUAHSR-RRPFGEQOSA-N
InChI
InChI=1S/C21H30O2/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/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • Pregna-5,16-dien-20-one, 3-hydroxy-, (3β)-
  • Pregna-5,16-dien-20-one, 3β-hydroxy-
  • (3β)-3-Hydroxypregna-5,16-dien-20-one
  • 3β-Hydroxypregna-5,16-dien-20-one
  • δ16-Pregnenolone
  • 16-Dehydropregnolone
  • 3β-Hydroxy-δ5,16-pregnadien-20-one
  • 3β-Hydroxy-20-oxopregna-5,16-diene
  • Pregna-5,16-dien-3β-ol-20-one
  • NSC 15467
  • Pregnadienolone
  • (-)-Pregnadienolone

Work with 16-Dehydropregnenolone

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

16-Dehydropregnenolone acetate979-02-268 % similar 17-Iodoandrosta-5,16-dien-3beta-ol32138-69-565 % similar Dehydroepiandrosterone53-43-065 % similar Pregnenolone145-13-160 % similar 17-Hydroxypregnenolone387-79-159 % similar Androstenediol521-17-558 % similar Pregna-4,16-diene-3,20-dione1096-38-458 % similar Methandriol521-10-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cannabidiol13956-29-1 (5Alpha)-Androsta-2,16-dien-17-yl acetate50588-42-6 Progesterone57-83-0 3-Hydroxy-5,7-pregnadien-20-one81968-78-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook