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MACARANGIOSIDE-A;(6S,9R)-MEGASTIGMAN-4-EN-3-ONE-6,9-DIOL-9-O-(6'-O-GALLOYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 93nF8Bswypq
InChI InChI=1S/C26H36O12/c1-12-7-15(27)10-25(3,4)26(12,35)6-5-13(2)37-24-22(33)21(32)20(31)18(38-24)11-36-23(34)14-8-16(28)19(30)17(29)9-14/h7-9,13,18,20-22,24,28-33,35H,5-6,10-11H2,1-4H3/t13-,18-,20-,21+,22+,24-,26-/m1/s1
InChIKey YTTZYTOMXNRFMJ-UGWXNHLOSA-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 KkvmONLBvee
Name MACARANGIOSIDE-A;(6S,9R)-MEGASTIGMAN-4-EN-3-ONE-6,9-DIOL-9-O-(6'-O-GALLOYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O12
InChI InChI=1S/C26H36O12/c1-12-7-15(27)10-25(3,4)26(12,35)6-5-13(2)37-24-22(33)21(32)20(31)18(38-24)11-36-23(34)14-8-16(28)19(30)17(29)9-14/h7-9,13,18,20-22,24,28-33,35H,5-6,10-11H2,1-4H3/t13-,18-,20-,21+,22+,24-,26-/m1/s1
InChIKey YTTZYTOMXNRFMJ-UGWXNHLOSA-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 55247
Solvent CD3OD