17alpha-HYDROXYYOHIMBAN-16alpha-CARBOXYLIC ACID, MONOHYDRATE

SpectraBase Compound ID	GdMeqr3dvBr
InChI	InChI=1S/2C20H24N2O3.Na.2H2O/c223-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25;;;/h21-4,11,14,16-18,21,23H,5-10H2,(H,24,25);;21H2/q;;+1;;/t211-,14-,16-,17-,18+;;;/m00.../s1
InChIKey	XMTFEMKSBJVBAM-OKMWWUNESA-N Google Search
Mol Weight	739.866 g/mol
Molecular Formula	C40H52N4NaO8
Exact Mass	739.368284 g/mol

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SpectraBase Spectrum ID	J5hNGVoGpGi
Name	17alpha-HYDROXYYOHIMBAN-16alpha-CARBOXYLIC ACID, MONOHYDRATE
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H24N2O3 H2O
InChI	InChI=1S/2C20H24N2O3.Na.2H2O/c223-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25;;;/h21-4,11,14,16-18,21,23H,5-10H2,(H,24,25);;21H2/q;;+1;;/t211-,14-,16-,17-,18+;;;/m00.../s1
InChIKey	XMTFEMKSBJVBAM-OKMWWUNESA-N
Melting Point	267-268C (dec.)
Molecular Weight	358.44
Solvent	Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms	YOHIMBAN-16-CARBOXYLIC ACID, 17- HYDROXY-, MONOHYDRATE