(2β,3α,5α,16β,17β)-2,16-Di-1-piperidinylandrostane-3,17-diol

C29H50N2O2CAS 13522-16-2458.73 g/mol

NHOOHN
AlcoholTertiary amine

Properties

Molecular formula
C29H50N2O2
Molar mass
458.73 g/mol
Exact mass
458.3872 Da
Melting point
157 °C
logP
4.68Crippen estimate
Polar surface area
46.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
S, S, S, S, R, S, S, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
13522-16-2
SMILES
C[C@]12C[C@H](N3CCCCC3)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](N3CCCCC3)C[C@@H]12
InChIKey
SMEIBKQQBOLIMJ-RIQJFVKASA-N
InChI
InChI=1S/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1

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Names and synonyms

4 names
  • Androstane-3,17-diol, 2,16-di-1-piperidinyl-, (2β,3α,5α,16β,17β)-
  • 5α-Androstane-3α,17β-diol, 2β,16β-dipiperidino-
  • 2β,16β-Dipiperidino-5α-androstane-3α,17β-diol
  • 2,16-Di(piperidin-1-yl)androstane-3,17-diol

Work with (2β,3α,5α,16β,17β)-2,16-Di-1-piperidinylandrostane-3,17-diol

Similar compounds

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

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