Pregn-5-en-20-one, 3-(acetyloxy)-16-chloro-, (3β,16α)-

CAS Registry Number®

50678-52-9
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CAS Name

Pregn-5-en-20-one, 3-(acetyloxy)-16-chloro-, (3β,16α)-

Molecular Formula

C23H33ClO3

Molecular Mass

392.96

Cite this Page

Pregn-5-en-20-one, 3-(acetyloxy)-16-chloro-, (3β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50678-52-9 (retrieved 2024-05-18) (CAS RN: 50678-52-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-187 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H33ClO3/c1-13(25)21-20(24)12-19-17-6-5-15-11-16(27-14(2)26)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-21H,6-12H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23-/m0/s1

InChIKey

InChIKey=VEIABLNKNSOQQY-LXGBQXIBSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)(CC1)[H])[H])(C[C@@H](Cl)[C@@H]2C(C)=O)[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(C(=O)C)C(Cl)CC34)C2(C)CC1)C

Other Names for this Substance

  • Pregn-5-en-20-one, 3-(acetyloxy)-16-chloro-, (3β,16α)-
  • Pregn-5-en-20-one, 16α-chloro-3β-hydroxy-, acetate

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