Pregn-5-en-18-oic acid, 20-hydroxy-3-(methylamino)-, γ-lactone, (3β,20S)-

CAS Registry Number®

510-31-6

CAS Name

Pregn-5-en-18-oic acid, 20-hydroxy-3-(methylamino)-, γ-lactone, (3β,20S)-

Molecular Formula

C22H33NO2

Molecular Mass

343.50

Cite this Page

Pregn-5-en-18-oic acid, 20-hydroxy-3-(methylamino)-, γ-lactone, (3β,20S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=510-31-6 (retrieved 2024-11-08) (CAS RN: 510-31-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178-181 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H33NO2/c1-13-17-6-7-19-16-5-4-14-12-15(23-3)8-10-21(14,2)18(16)9-11-22(17,19)20(24)25-13/h4,13,15-19,23H,5-12H2,1-3H3/t13-,15-,16+,17+,18-,19-,21-,22-/m0/s1

InChIKey

InChIKey=RSFPISDAJMWREU-CDFICMNGSA-N

SMILES

O=C1[C@@]23[C@]([C@]4([C@](CC2)([C@]5(C)C(=CC4)C[C@@H](NC)CC5)[H])[H])(CC[C@@]3([C@H](C)O1)[H])[H]

Canonical SMILES

O=C1OC(C)C2CCC3C4CC=C5CC(NC)CCC5(C)C4CCC123

Other Names for this Substance

  • Pregn-5-en-18-oic acid, 20-hydroxy-3-(methylamino)-, γ-lactone, (3β,20S)-
  • Pregn-5-en-18-oic acid, 20α-hydroxy-3β-(methylamino)-, γ-lactone
  • Paravallarine

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles