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22,26-Epiminocholest-5-ene-3.beta.,16.beta.,23-triol
SpectraBase Compound ID KbqiCgwTDMm
InChI InChI=1S/C27H45NO3/c1-15-11-23(31)25(28-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-25,28-31H,6-14H2,1-4H3/t15?,16-,18-,19+,20-,21-,22-,23?,24-,25?,26-,27-/m0/s1
InChIKey FMYRFQYFBNZFPQ-ZTWSPBPQSA-N
Mol Weight 431.7 g/mol
Molecular Formula C27H45NO3
Exact Mass 431.339944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lp0Fskhka7U
Name 22,26-Epiminocholest-5-ene-3.beta.,16.beta.,23-triol
Alternate Name(s) (3beta,16beta,20S)-20-(3-hydroxy-5-methyl-2-piperidinyl)pregn-5-ene-3,16-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO3
InChI InChI=1S/C27H45NO3/c1-15-11-23(31)25(28-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-25,28-31H,6-14H2,1-4H3/t15?,16-,18-,19+,20-,21-,22-,23?,24-,25?,26-,27-/m0/s1
InChIKey FMYRFQYFBNZFPQ-ZTWSPBPQSA-N
Molecular Weight 431.661 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@](C5C(CC(C)CN5)O)(C)[H])([C@](C4)(O)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-03di-0900000000-1cdfc310476baaa8d092
Source of Spectrum U-1993-170-9
Wiley ID 764729