meso-inositol, hexanicotinate

SpectraBase Compound ID	JPtJJujX74n
InChI	InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H/t31-,32-,33-,34+,35-,36-
InChIKey	MFZCIDXOLLEMOO-GYSGTQPESA-N Google Search
Mol Weight	810.7 g/mol
Molecular Formula	C42H30N6O12
Exact Mass	810.19217 g/mol

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SpectraBase Spectrum ID	AAJJmXjWn8X
Name	meso-INOSITOL, HEXANICOTINATE
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	S41308
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H30N6O12
InChI	InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H/t31-,32-,33-,34+,35-,36-
InChIKey	MFZCIDXOLLEMOO-GYSGTQPESA-N
Molecular Weight	810.731995
Synonyms	INOSITOL, HEXANICOTINATE, MESO-,
Technique	FILM (CAST FROM CHCl3)