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(5E,5BE)-ALLYL-BICYCLOMYCIN-5A-PROPENOATE-C-(2'),C-(3')-ACETONIDE
SpectraBase Compound ID 8A5KoDMDNvv
InChI InChI=1S/C21H28N2O9/c1-5-10-29-14(24)8-6-7-13-9-11-30-21(17(27)22-20(13,28)16(26)23-21)15(25)19(4)12-31-18(2,3)32-19/h5-8,15,25,28H,1,9-12H2,2-4H3,(H,22,27)(H,23,26)/b8-6+,13-7+/t15?,19?,20-,21+/m0/s1
InChIKey DDXSOWDZIVTFEW-JWRXMPPSSA-N
Mol Weight 452.46 g/mol
Molecular Formula C21H28N2O9
Exact Mass 452.17948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zhoQgN7ZZq
Name (5E,5BE)-ALLYL-BICYCLOMYCIN-5A-PROPENOATE-C-(2'),C-(3')-ACETONIDE
Compound Number 42
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N2O9
InChI InChI=1S/C21H28N2O9/c1-5-10-29-14(24)8-6-7-13-9-11-30-21(17(27)22-20(13,28)16(26)23-21)15(25)19(4)12-31-18(2,3)32-19/h5-8,15,25,28H,1,9-12H2,2-4H3,(H,22,27)(H,23,26)/b8-6+,13-7+/t15?,19?,20-,21+/m0/s1
InChIKey DDXSOWDZIVTFEW-JWRXMPPSSA-N
Literature Reference Author F.VINCENT,J.SRINIVASAN,A.SANTILLAN,W.R.WIDGER,H.KOHN
Literature Reference Citation J.ORG.CHEM.,66,2251(2001)
Literature Reference DOI 10.1021/jo0013150
Molecular Weight 452.461 g/mol
Solvent CD3OD
Source File Reference UWLU26259