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5a-Androstane-3beta,17beta-diol hydrate

View entire compound with spectra: 4 NMR, and 2 FTIR

5a-Androstane-3beta,17beta-diol hydrate
SpectraBase Compound ID D7T1ePGNOOs
InChI InChI=1S/C19H32O2.H2O/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18;/h12-17,20-21H,3-11H2,1-2H3;1H2/t12-,13-,14-,15-,16-,17-,18-,19-;/m0./s1
InChIKey IOIXDBPGNHNGOY-JXZLFAAWSA-N
Mol Weight 308.5 g/mol
Molecular Formula C19H32O3
Exact Mass 308.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IMlOmSp9bai
Name 5a-Androstane-3beta,17beta-diol hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 850934
CAS Registry Number 42366-37-0
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O3
InChI 1S/C19H32O2.H2O/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18;/h12-17,20-21H,3-11H2,1-2H3;1H2/t12-,13-,14-,15-,16-,17-,18-,19-;/m0./s1
InChIKey IOIXDBPGNHNGOY-JXZLFAAWSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (5alpha,10xi,13xi)-Androstane-3,17-diol--water (1/1) DTXSID00746032
Wiley ID SIAL_13CNMR_010420