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Methyl glycoallocholate
SpectraBase Compound ID FLQxu2llzk8
InChI InChI=1S/C27H45NO6/c1-15(5-8-23(32)28-14-24(33)34-4)18-6-7-19-25-20(13-22(31)27(18,19)3)26(2)10-9-17(29)11-16(26)12-21(25)30/h15-22,25,29-31H,5-14H2,1-4H3,(H,28,32)/t15-,16+,17-,18-,19+,20+,21-,22+,25?,26+,27-/m1/s1
InChIKey WPTOZHDKVRPEQK-XPZZKIGFSA-N
Mol Weight 479.7 g/mol
Molecular Formula C27H45NO6
Exact Mass 479.324688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3Y0SndGFWq
Name Methyl glycoallocholate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO6
InChI InChI=1S/C27H45NO6/c1-15(5-8-23(32)28-14-24(33)34-4)18-6-7-19-25-20(13-22(31)27(18,19)3)26(2)10-9-17(29)11-16(26)12-21(25)30/h15-22,25,29-31H,5-14H2,1-4H3,(H,28,32)/t15-,16+,17-,18-,19+,20+,21-,22+,25?,26+,27-/m1/s1
InChIKey WPTOZHDKVRPEQK-XPZZKIGFSA-N
Molecular Weight 479.658 g/mol
SMILES O[C@]1(C[C@@]2([C@@]3([C@](C[C@](C2[C@]2([C@]1([C@@]([C@@](CCC(NCC(=O)OC)=O)(C)[H])(CC2)[H])C)[H])(O)[H])(C[C@@](CC3)(O)[H])[H])C)[H])[H]
SPLASH splash10-0fl0-0290100000-32f6e5aadbbcf1239f2c
Source of Spectrum BS-5-82-0
Synonyms Methyl {[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate
Wiley ID 1395035