(3β,16β,20S)-20-[(2S,5R)-5-Hydroxy-1,5-dimethyl-2-piperidinyl]pregn-5-ene-3,16-diol

CAS Registry Number®

131984-89-9

CAS Name

(3β,16β,20S)-20-[(2S,5R)-5-Hydroxy-1,5-dimethyl-2-piperidinyl]pregn-5-ene-3,16-diol

Molecular Formula

C28H47NO3

Molecular Mass

445.68

Cite this Page

(3β,16β,20S)-20-[(2S,5R)-5-Hydroxy-1,5-dimethyl-2-piperidinyl]pregn-5-ene-3,16-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131984-89-9 (retrieved 2024-11-30) (CAS RN: 131984-89-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H47NO3/c1-17(23-10-11-26(2,32)16-29(23)5)25-24(31)15-22-20-7-6-18-14-19(30)8-12-27(18,3)21(20)9-13-28(22,25)4/h6,17,19-25,30-32H,7-16H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,25+,26+,27+,28+/m1/s1

InChIKey

InChIKey=JTBAWWCDNDKCDH-HXVGSJFWSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](O)CC4)[H])[H])(C[C@H](O)[C@@]2([C@H](C)[C@@]5(N(C)C[C@@](C)(O)CC5)[H])[H])[H]

Canonical SMILES

OC1CC2=CCC3C(CCC4(C)C3CC(O)C4C(C)C5N(C)CC(O)(C)CC5)C2(C)CC1

Other Names for this Substance

  • Pregn-5-ene-3,16-diol, 20-[(2S,5R)-5-hydroxy-1,5-dimethyl-2-piperidinyl]-, (3β,16β,20S)-
  • 16,28-Secosolanid-5-ene-3,16,25-triol, 28-methyl-, (3β,16β,25β)-
  • (3β,16β,20S)-20-[(2S,5R)-5-Hydroxy-1,5-dimethyl-2-piperidinyl]pregn-5-ene-3,16-diol
  • Pingbeinine
  • (-)-Pingbeinine

CAS INSIGHTSTM
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