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ESCULEOGENIN-A-27-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID AQeySt8YlpQ
InChI InChI=1S/2C33H55NO9/c2*1-16-26-23(12-22-20-5-4-18-11-19(36)6-8-31(18,2)21(20)7-9-32(22,26)3)43-33(16)25(37)10-17(13-34-33)15-41-30-29(40)28(39)27(38)24(14-35)42-30/h2*16-30,34-40H,4-15H2,1-3H3/t2*16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-,32-,33-/m00/s1
InChIKey OMPYIYYRYUYJGO-BDZNHUTLSA-N
Mol Weight 1219.6 g/mol
Molecular Formula C66H110N2O18
Exact Mass 1218.775365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38T49EVygUs
Name ESCULEOGENIN-A-27-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H110N2O18
InChI InChI=1S/2C33H55NO9/c2*1-16-26-23(12-22-20-5-4-18-11-19(36)6-8-31(18,2)21(20)7-9-32(22,26)3)43-33(16)25(37)10-17(13-34-33)15-41-30-29(40)28(39)27(38)24(14-35)42-30/h2*16-30,34-40H,4-15H2,1-3H3/t2*16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-,32-,33-/m00/s1
InChIKey OMPYIYYRYUYJGO-BDZNHUTLSA-N
Literature Reference Author T.NOHARA,K.OKAMOTO,S.MATSUSHITA,Y.FUJIWARA,T.IKEDA,H.MIYASHI TA,M.ONO
Literature Reference Citation CHEM.PHARM.BULL.,56,1015(2008)
Literature Reference DOI 10.1248/cpb.56.1015
Molecular Weight 1219.602 g/mol
Sample ID 1890
Solvent C5D5N