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1,3,4-O-Triacetyl-2-methylsulfonyl-neopentologenin

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1,3,4-O-Triacetyl-2-methylsulfonyl-neopentologenin
SpectraBase Compound ID 54lRE6oE2Al
InChI InChI=1S/C34H52O12S/c1-17-9-14-34(41-16-17)18(2)26-25(45-34)15-24-22-10-13-33(38)30(44-21(5)37)27(42-19(3)35)28(46-47(8,39)40)29(43-20(4)36)32(33,7)23(22)11-12-31(24,26)6/h17-18,22-30,38H,9-16H2,1-8H3
InChIKey UXLWYNVRFBGEHA-UHFFFAOYSA-N
Mol Weight 684.8 g/mol
Molecular Formula C34H52O12S
Exact Mass 684.317948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ln4sDIVu6yu
Name 1,3,4-O-Triacetyl-2-methylsulfonyl-neopentologenin
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C34H52O12S
InChI InChI=1S/C34H52O12S/c1-17-9-14-34(41-16-17)18(2)26-25(45-34)15-24-22-10-13-33(38)30(44-21(5)37)27(42-19(3)35)28(46-47(8,39)40)29(43-20(4)36)32(33,7)23(22)11-12-31(24,26)6/h17-18,22-30,38H,9-16H2,1-8H3
InChIKey UXLWYNVRFBGEHA-UHFFFAOYSA-N
Literature Reference Chem. Pharm. Bull. 32, 1451 (1984).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3