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LESPEFLORIN_J_1

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LESPEFLORIN_J_1
SpectraBase Compound ID 4pidQ8xiAJz
InChI InChI=1S/C50H52O10/c1-24(2)9-13-28-19-34(40(53)22-39(28)52)50-42(35-21-41(54)44(56)31(48(35)60-50)16-12-27(7)8)45(57)36-20-33-37-23-58-46-29(14-10-25(3)4)38(51)18-17-32(46)49(37)59-47(33)30(43(36)55)15-11-26(5)6/h9-12,17-22,37,49,51-56H,13-16,23H2,1-8H3/t37-,49-/m0/s1
InChIKey KYGKFGJZDFSTOO-HNKXTRRSSA-N
Mol Weight 813.0 g/mol
Molecular Formula C50H52O10
Exact Mass 812.356048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4fOGCD2liS1
Name LESPEFLORIN_J_1
Compound Number 37
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H52O10
InChI InChI=1S/C50H52O10/c1-24(2)9-13-28-19-34(40(53)22-39(28)52)50-42(35-21-41(54)44(56)31(48(35)60-50)16-12-27(7)8)45(57)36-20-33-37-23-58-46-29(14-10-25(3)4)38(51)18-17-32(46)49(37)59-47(33)30(43(36)55)15-11-26(5)6/h9-12,17-22,37,49,51-56H,13-16,23H2,1-8H3/t37-,49-/m0/s1
InChIKey KYGKFGJZDFSTOO-HNKXTRRSSA-N
Literature Reference Author M.MORI-HONGO,H.TAKIMOTO,T.KATAGIRI,M.KIMURA,Y.IKEDA,T.MIYASE
Literature Reference Citation J.NAT.PROD.,72,194(2009)
Literature Reference DOI 10.1021/np800395j
Molecular Weight 812.957 g/mol
Sample ID 32144
Solvent ACETONE-D6