Androstane-3,17-diol, 2,16-di-1-piperidinyl-, 3,17-diacetate, (2β,3α,5α,16β,17β)-

CAS Registry Number®

13529-31-2

CAS Name

Androstane-3,17-diol, 2,16-di-1-piperidinyl-, 3,17-diacetate, (2β,3α,5α,16β,17β)-

Molecular Formula

C33H54N2O4

Molecular Mass

542.79

Cite this Page

Androstane-3,17-diol, 2,16-di-1-piperidinyl-, 3,17-diacetate, (2β,3α,5α,16β,17β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13529-31-2 (retrieved 2024-11-22) (CAS RN: 13529-31-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176-180 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H54N2O4/c1-22(36)38-30-19-24-11-12-25-26(33(24,4)21-29(30)35-17-9-6-10-18-35)13-14-32(3)27(25)20-28(31(32)39-23(2)37)34-15-7-5-8-16-34/h24-31H,5-21H2,1-4H3/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1

InChIKey

InChIKey=CSXHRHGXNQSNQW-ZZZJANDJSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@H](OC(C)=O)[C@H](C4)N5CCCCC5)[H])[H])[H])(C[C@@H]([C@@H]2OC(C)=O)N6CCCCC6)[H]

Canonical SMILES

O=C(OC1CC2CCC3C(CCC4(C)C(OC(=O)C)C(N5CCCCC5)CC34)C2(C)CC1N6CCCCC6)C

Other Names for this Substance

  • Androstane-3,17-diol, 2,16-di-1-piperidinyl-, 3,17-diacetate, (2β,3α,5α,16β,17β)-
  • 5α-Androstane-3α,17β-diol, 2β,16β-dipiperidino-, diacetate (ester)
  • Androstane-3,17-diol, 2,16-di-1-piperidinyl-, diacetate (ester), (2β,3α,5α,16β,17β)-
  • 2β,16β-Dipiperidino-5α-androstane-3α,17β-diol diacetate (ester)
  • (2β,3α,5α,16β,17β)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration