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ROXBIOKRBVVCGL-COEXCEQZSA-N
SpectraBase Compound ID 9kwL31e8XQl
InChI InChI=1S/C33H54O9/c1-20-14-21(2)16-27(35)29(41-8)13-11-9-10-12-22(3)32(39)42-25(6)17-23(4)30(37)31(38)28(36)18-26(34)19-33(7,40)24(5)15-20/h11-13,15,21,23,25-27,29-31,34-35,37-38,40H,1,9-10,14,16-19H2,2-8H3/b13-11+,22-12+,24-15+
InChIKey ROXBIOKRBVVCGL-COEXCEQZSA-N
Mol Weight 594.8 g/mol
Molecular Formula C33H54O9
Exact Mass 594.376783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63kb6VFNzsU
Name ROXBIOKRBVVCGL-COEXCEQZSA-N
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H54O9
InChI InChI=1S/C33H54O9/c1-20-14-21(2)16-27(35)29(41-8)13-11-9-10-12-22(3)32(39)42-25(6)17-23(4)30(37)31(38)28(36)18-26(34)19-33(7,40)24(5)15-20/h11-13,15,21,23,25-27,29-31,34-35,37-38,40H,1,9-10,14,16-19H2,2-8H3/b13-11+,22-12+,24-15+
InChIKey ROXBIOKRBVVCGL-COEXCEQZSA-N
Literature Reference Author J.KOBAYASHI,M.ISHIBASHI,H.NAKAMURA,Y.OHIZUMI,T.YAMASU,Y.HIRA TA,T.SASAKI,T.OHTA,S
Literature Reference Citation J.NAT.PROD.,52,1036(1989)
Literature Reference DOI 10.1021/np50065a021
Molecular Weight 594.786 g/mol
Solvent CDCl3
Source File Reference UWTS187