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5A-(2-AMINOPHENYL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MAJOR-DIASTEREOMER
SpectraBase Compound ID Ap13uMUd88O
InChI InChI=1S/C21H29N3O7S/c1-18(2)30-11-19(3,31-18)15(25)21-17(27)23-20(28,16(26)24-21)12(8-9-29-21)10-32-14-7-5-4-6-13(14)22/h4-7,12,15,25,28H,8-11,22H2,1-3H3,(H,23,27)(H,24,26)/t12-,15?,19?,20-,21-/m1/s1
InChIKey MSFAAFGPHFTCOG-DKKQCMJXSA-N
Mol Weight 467.54 g/mol
Molecular Formula C21H29N3O7S
Exact Mass 467.172621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlOdY6NrE6p
Name 5A-(2-AMINOPHENYL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MAJOR-DIASTEREOMER
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29N3O7S
InChI InChI=1S/C21H29N3O7S/c1-18(2)30-11-19(3,31-18)15(25)21-17(27)23-20(28,16(26)24-21)12(8-9-29-21)10-32-14-7-5-4-6-13(14)22/h4-7,12,15,25,28H,8-11,22H2,1-3H3,(H,23,27)(H,24,26)/t12-,15?,19?,20-,21-/m1/s1
InChIKey MSFAAFGPHFTCOG-DKKQCMJXSA-N
Literature Reference Author A.P.BROGAN,W.R.WIDGER,H.KOHN
Literature Reference Citation J.ORG.CHEM.,68,5575(2003)
Literature Reference DOI 10.1021/jo030020u
Molecular Weight 467.537 g/mol
Solvent CD3OD
Source File Reference UWVN25346