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Magnesium-neopentologenin-2.beta.-yl-sulfat, monohydroxid
SpectraBase Compound ID DFuxr0oZxSz
InChI InChI=1S/C27H44O10S.Mg.H2O/c1-13-5-10-27(35-12-13)14(2)19-18(36-27)11-17-15-6-9-26(31)22(29)20(28)21(37-38(32,33)34)23(30)25(26,4)16(15)7-8-24(17,19)3;;/h13-23,28-31H,5-12H2,1-4H3,(H,32,33,34);;1H2/q;+2;/p-2
InChIKey XRVUPOVOAPLDDI-UHFFFAOYSA-L
Mol Weight 601.0 g/mol
Molecular Formula C27H44MgO11S
Exact Mass 600.245475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51Cvewfx1Fr
Name Magnesium-neopentologenin-2.beta.-yl-sulfat, monohydroxid
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Formula C27H44MgO11S
InChI InChI=1S/C27H44O10S.Mg.H2O/c1-13-5-10-27(35-12-13)14(2)19-18(36-27)11-17-15-6-9-26(31)22(29)20(28)21(37-38(32,33)34)23(30)25(26,4)16(15)7-8-24(17,19)3;;/h13-23,28-31H,5-12H2,1-4H3,(H,32,33,34);;1H2/q;+2;/p-2
InChIKey XRVUPOVOAPLDDI-UHFFFAOYSA-L
Literature Reference Chem. Pharm. Bull. 32, 1451 (1984).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5