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myo-Inositol, tris-O-[3-acetyl-1-(trimethylsilyl)-1H-indolyl]tris-O-(trimethylsilyl)-
SpectraBase Compound ID LwC5eq9Huph
InChI InChI=1S/C54H81N3O9Si6/c1-34(58)43-37-28-22-25-31-40(37)55(67(4,5)6)52(43)61-46-47(62-53-44(35(2)59)38-29-23-26-32-41(38)56(53)68(7,8)9)49(64-70(13,14)15)51(66-72(19,20)21)50(65-71(16,17)18)48(46)63-54-45(36(3)60)39-30-24-27-33-42(39)57(54)69(10,11)12/h22-33,46-51H,1-21H3/t46-,47-,48+,49+,50-,51+
InChIKey XWSLFRJKYGBKIO-DOBHNSIESA-N
Mol Weight 1084.8 g/mol
Molecular Formula C54H81N3O9Si6
Exact Mass 1083.45884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXHxD7BuHId
Name myo-Inositol, tris-O-[3-acetyl-1-(trimethylsilyl)-1H-indolyl]tris-O-(trimethylsilyl)-
CAS Registry Number 74523-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H81N3O9Si6
InChI InChI=1S/C54H81N3O9Si6/c1-34(58)43-37-28-22-25-31-40(37)55(67(4,5)6)52(43)61-46-47(62-53-44(35(2)59)38-29-23-26-32-41(38)56(53)68(7,8)9)49(64-70(13,14)15)51(66-72(19,20)21)50(65-71(16,17)18)48(46)63-54-45(36(3)60)39-30-24-27-33-42(39)57(54)69(10,11)12/h22-33,46-51H,1-21H3/t46-,47-,48+,49+,50-,51+
InChIKey XWSLFRJKYGBKIO-DOBHNSIESA-N
Molecular Weight 1084.764 g/mol
SMILES c1(c(c2ccccc2[n]1[Si](C)(C)C)C(=O)C)O[C@]1([C@@]([C@](O[Si](C)(C)C)([C@@]([C@]([C@@]1(Oc1c(c2ccccc2[n]1[Si](C)(C)C)C(=O)C)[H])(Oc1c(c2ccccc2[n]1[Si](C)(C)C)C(=O)C)[H])(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])[H]
SPLASH splash10-0007-9600000000-4ad567a71ff87d4f3496
Source of Spectrum W5-38746-26790-26790
Synonyms Tri-O-(N-tms-indole-3-acetyl)-O-tri-O-tms-myo-inositol
Wiley ID 1418559