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1-(2,3,5-Tri-O-acetyl-.beta.-D-ribofuranosyl)indole-3-carboxylic Acid
SpectraBase Compound ID EkTFeW8Y9y8
InChI InChI=1S/C20H21NO9/c1-10(22)27-9-16-17(28-11(2)23)18(29-12(3)24)19(30-16)21-8-14(20(25)26)13-6-4-5-7-15(13)21/h4-8,16-19H,9H2,1-3H3,(H,25,26)/t16-,17-,18-,19-/m1/s1
InChIKey MHNGZIFREUZCCA-NCXUSEDFSA-N
Mol Weight 419.39 g/mol
Molecular Formula C20H21NO9
Exact Mass 419.121631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJ0U82m3ea9
Name 1-(2,3,5-Tri-O-acetyl-.beta.-D-ribofuranosyl)indole-3-carboxylic Acid
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO9
InChI InChI=1S/C20H21NO9/c1-10(22)27-9-16-17(28-11(2)23)18(29-12(3)24)19(30-16)21-8-14(20(25)26)13-6-4-5-7-15(13)21/h4-8,16-19H,9H2,1-3H3,(H,25,26)/t16-,17-,18-,19-/m1/s1
InChIKey MHNGZIFREUZCCA-NCXUSEDFSA-N
Instrument Name Finigan SSQ 700
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.809
Molecular Weight 419.386 g/mol
Optical Rotation [a]D20 = -44.41 (c = 0.97, CHCl3)
SMILES OC(c1c2ccccc2[n](c1)[C@]1([C@@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])=O
SPLASH splash10-0006-9430100000-0a7c68e8234de0e3fe7f
Source of Spectrum ARK-2008-98-20
Wiley ID 1869556