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Tomatidine HCl
SpectraBase Compound ID Z2UM4ITo3n
InChI InChI=1S/C27H45NO2.ClH/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4;/h16-24,28-29H,5-15H2,1-4H3;1H/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-;/m0./s1
InChIKey SXXHVPYRDFJKPG-VXJLCZPPSA-N
Mol Weight 452.12 g/mol
Molecular Formula C27H46ClNO2
Exact Mass 451.321707 g/mol
Parent InChIKey XYNPYHXGMWJBLV-VXPJTDKGSA-N
Enantiomer InChIKey SXXHVPYRDFJKPG-YWQOWKQISA-N
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Source of Sample Sigma-Aldrich Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number T2909
Unknown Identification

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