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MACARANGIOSIDE-C;(9R)-MEGASTIGMAN-3-ON-5,11-EPOXY-9-OL-9-O-(6'-O-GALLOYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 8yu1jE9P7Nj
InChI InChI=1S/C26H36O12/c1-12(4-5-18-25(2)8-14(27)9-26(18,3)36-11-25)37-24-22(33)21(32)20(31)17(38-24)10-35-23(34)13-6-15(28)19(30)16(29)7-13/h6-7,12,17-18,20-22,24,28-33H,4-5,8-11H2,1-3H3/t12-,17-,18-,20-,21+,22-,24-,25-,26-/m1/s1
InChIKey VKWMVELOQBABEA-NADNLKAXSA-N
Mol Weight 540.6 g/mol
Molecular Formula C26H36O12
Exact Mass 540.220677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9STkZIg3XiP
Name MACARANGIOSIDE-C;(9R)-MEGASTIGMAN-3-ON-5,11-EPOXY-9-OL-9-O-(6'-O-GALLOYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O12
InChI InChI=1S/C26H36O12/c1-12(4-5-18-25(2)8-14(27)9-26(18,3)36-11-25)37-24-22(33)21(32)20(31)17(38-24)10-35-23(34)13-6-15(28)19(30)16(29)7-13/h6-7,12,17-18,20-22,24,28-33H,4-5,8-11H2,1-3H3/t12-,17-,18-,20-,21+,22-,24-,25-,26-/m1/s1
InChIKey VKWMVELOQBABEA-NADNLKAXSA-N
Literature Reference Author K.MATSUNAMI,I.TAKAMORI,T.SHINZATO,M.ARAMOTO,K.KONDO,H.OTSUKA ,Y.TAKEDA
Literature Reference Citation CHEM.PHARM.BULL.,54,1403(2006)
Literature Reference DOI 10.1248/cpb.54.1403
Molecular Weight 540.565 g/mol
Sample ID 55249
Solvent CD3OD