chempirical

16-Dehydropregnenolone acetate

C23H32O3CAS 979-02-2356.51 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetone

Properties

Molecular formula
C23H32O3
Molar mass
356.51 g/mol
Exact mass
356.2351 Da
Melting point
174 °C
logP
5.01Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2
Stereocentres
S, R, R, S, S, Sin SMILES atom order

Identifiers

CAS number
979-02-2
SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=CC[C@@H]32)C1
InChIKey
MZWRIOUCMXPLKV-RFOVXIPZSA-N
InChI
InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • Pregna-5,16-dien-20-one, 3-(acetyloxy)-, (3β)-
  • Pregna-5,16-dien-20-one, 3β-hydroxy-, acetate
  • (3β)-3-(Acetyloxy)pregna-5,16-dien-20-one
  • 3β-Acetoxypregna-5,16-dien-20-one
  • 3β-Acetoxypregna-5,16-diene-20-one
  • Dehydropregnenolone acetate
  • 16,17-Didehydropregnenolone acetate
  • 20-Oxopregna-5,16-dien-3β-yl acetate
  • Pregnadienolone acetate
  • (-)-16-Dehydropregnenolone acetate
  • 16-DPA
  • NSC 37741
  • 3β-Acetyloxy-pregna-5,16-dien-20-one
  • 16-Dehydropregnenolone-3β-acetate

Work with 16-Dehydropregnenolone acetate

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

(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate114611-53-973 % similar 3β-Acetoxyandrost-5-en-17-one853-23-670 % similar 16-Dehydropregnenolone1162-53-468 % similar 3-Acetyloxypregn-16-en-20-one1169-20-663 % similar Pregnenolone acetate1778-02-563 % similar Abiraterone acetate154229-18-261 % similar (3β,16α)-3-(Acetyloxy)-16,17-epoxypregn-5-en-20-one34209-81-960 % similar (-)-Cholesteryl acetate604-35-358 % similar

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

Same formula

Estradiol valerate979-32-8

Elsewhere

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