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13-EPI-10-DEACETYL-BACCATIN-3

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13-EPI-10-DEACETYL-BACCATIN-3
SpectraBase Compound ID 9MjUQZ0000e
InChI InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18+,19-,21-,22+,24+,27-,28+,29-/m1/s1
InChIKey YWLXLRUDGLRYDR-LHDQCKIRSA-N
Mol Weight 544.6 g/mol
Molecular Formula C29H36O10
Exact Mass 544.230847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Xod6CNSW0Y
Name 13-EPI-10-DEACETYL-BACCATIN-3
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O10
InChI InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18+,19-,21-,22+,24+,27-,28+,29-/m1/s1
InChIKey YWLXLRUDGLRYDR-LHDQCKIRSA-N
Literature Reference Author B.GABETTA,P.DEBELLIS,R.PACE,G.APPENDINO,L.BARBONI,E.TORREGIA NI,P.GARIBOLDI,D.VIT
Literature Reference Citation J.NAT.PROD.,58,1508(1995)
Literature Reference DOI 10.1021/np50124a005
Molecular Weight 544.599 g/mol
Solvent DMSO-D6
Source File Reference UWRU587