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5-METHYLSULPHONYLMETHYLENEALTERSOLANOL-A
SpectraBase Compound ID J5REU29PNcm
InChI InChI=1S/C18H20O10S/c1-18(25)16(23)12-11(15(22)17(18)24)14(21)10-7(19)4-8(28-2)6(5-29(3,26)27)9(10)13(12)20/h4,15-17,19,22-25H,5H2,1-3H3/t15-,16+,17+,18-/m1/s1
InChIKey QBQNVMMIXPFCBF-VSZNYVQBSA-N
Mol Weight 428.41 g/mol
Molecular Formula C18H20O10S
Exact Mass 428.077718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPY5QnCjhmk
Name 5-METHYLSULPHONYLMETHYLENEALTERSOLANOL-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20O10S
InChI InChI=1S/C18H20O10S/c1-18(25)16(23)12-11(15(22)17(18)24)14(21)10-7(19)4-8(28-2)6(5-29(3,26)27)9(10)13(12)20/h4,15-17,19,22-25H,5H2,1-3H3/t15-,16+,17+,18-/m1/s1
InChIKey QBQNVMMIXPFCBF-VSZNYVQBSA-N
Literature Reference Author N.OKAMURA,K.MIMURA,H.HARAGUCHI,K.SHINGU,K.MIYAHARA,A.YAGI
Literature Reference Citation PHYTOCHEM.,42,77(1996)
Literature Reference DOI 10.1016/0031-9422(95)00861-6
Molecular Weight 428.411 g/mol
Solvent DMSO-D6
Source File Reference UWLU3207