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(18E)-18-(Hydroxyimino)-des-A,B-23,24-dinorcholane-8.beta.-ol
SpectraBase Compound ID 27CFPQxeUWa
InChI InChI=1S/C13H23NO2/c1-9(2)10-5-6-11-12(15)4-3-7-13(10,11)8-14-16/h8-12,15-16H,3-7H2,1-2H3/b14-8+/t10-,11+,12+,13+/m1/s1
InChIKey GJZXDHOEIOIIHP-PQBBFMNFSA-N
Mol Weight 225.33 g/mol
Molecular Formula C13H23NO2
Exact Mass 225.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuXuaUhSTj1
Name (18E)-18-(Hydroxyimino)-des-A,B-23,24-dinorcholane-8.beta.-ol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23NO2
InChI InChI=1S/C13H23NO2/c1-9(2)10-5-6-11-12(15)4-3-7-13(10,11)8-14-16/h8-12,15-16H,3-7H2,1-2H3/b14-8+/t10-,11+,12+,13+/m1/s1
InChIKey GJZXDHOEIOIIHP-PQBBFMNFSA-N
Ionization Type EI
Molecular Weight 225.332 g/mol
Optical Rotation [a]D = +45.7 (c = 0.90, CHCl3)
SMILES O\N=C\[C@@]12CCC[C@@]([C@@]2(CC[C@@]1(C(C)C)[H])[H])(O)[H]
SPLASH splash10-052r-2920000000-22aa4225a04bfa889e0e
Source of Spectrum EP1817278B1
Wiley ID 1841721