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INERMINOSIDE-D;2'-O-[5''-O-(PARA-HYDROXY-BENZOYL)-BETA-D-APOIFURANOSYL]-MUSSAENOSIDIC-ACID
SpectraBase Compound ID 93AXD4Sb1WT
InChI InChI=1S/C28H36O16/c1-27(37)7-6-14-15(22(34)35)9-39-24(17(14)27)44-25-20(19(32)18(31)16(8-29)42-25)43-26-21(33)28(38,11-41-26)10-40-23(36)12-2-4-13(30)5-3-12/h2-5,9,14,16-21,24-26,29-33,37-38H,6-8,10-11H2,1H3,(H,34,35)/t14?,16-,17?,18-,19+,20-,21+,24-,25+,26-,27-,28-/m1/s1
InChIKey CFEHXHKHKXLAMI-BYFIESJCSA-N
Mol Weight 628.6 g/mol
Molecular Formula C28H36O16
Exact Mass 628.200335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpX8HMEl45V
Name INERMINOSIDE-D;2'-O-[5''-O-(PARA-HYDROXY-BENZOYL)-BETA-D-APOIFURANOSYL]-MUSSAENOSIDIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O16
InChI InChI=1S/C28H36O16/c1-27(37)7-6-14-15(22(34)35)9-39-24(17(14)27)44-25-20(19(32)18(31)16(8-29)42-25)43-26-21(33)28(38,11-41-26)10-40-23(36)12-2-4-13(30)5-3-12/h2-5,9,14,16-21,24-26,29-33,37-38H,6-8,10-11H2,1H3,(H,34,35)/t14?,16-,17?,18-,19+,20-,21+,24-,25+,26-,27-,28-/m1/s1
InChIKey CFEHXHKHKXLAMI-BYFIESJCSA-N
Literature Reference Author I.CALIS,M.HOSNY,A.YUERUEKER
Literature Reference Citation PHYTOCHEM.,37,1083(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89533-3
Molecular Weight 628.584 g/mol
Solvent CD3OD
Source File Reference UWLU23603