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CHRYSOGESIDE_D;(2-R,3-E)-2-HYDROXY-N-[(2-S,3-R,4-E,8-E)-1-BETA-D-GLUCOPYRANOSYLOXY-3-HYDROXY-9-METHYLHEPTADEC-4,8-DIEN-2-YL]-NONADEC-3-ENAMIDE
SpectraBase Compound ID KQ3yPkVQ4s5
InChI InChI=1S/C43H79NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-11-9-7-5-2/h26-27,29-31,35-41,43,45-50H,4-25,28,32-33H2,1-3H3,(H,44,51)/b30-27+,31-26+,34-29+/t35-,36+,37+,38-,39-,40+,41-,43-/m0/s1
InChIKey SSNZBMSHTYMPDC-ILKLWODYSA-N
Mol Weight 754.1 g/mol
Molecular Formula C43H79NO9
Exact Mass 753.575483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5n1ZmO0QEpB
Name CHRYSOGESIDE_D;(2-R,3-E)-2-HYDROXY-N-[(2-S,3-R,4-E,8-E)-1-BETA-D-GLUCOPYRANOSYLOXY-3-HYDROXY-9-METHYLHEPTADEC-4,8-DIEN-2-YL]-NONADEC-3-ENAMIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H79NO9
InChI InChI=1S/C43H79NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-11-9-7-5-2/h26-27,29-31,35-41,43,45-50H,4-25,28,32-33H2,1-3H3,(H,44,51)/b30-27+,31-26+,34-29+/t35-,36+,37+,38-,39-,40+,41-,43-/m0/s1
InChIKey SSNZBMSHTYMPDC-ILKLWODYSA-N
Literature Reference Author X.PENG,Y.WANG,K.SUN,P.LIU,X.YIN,W.ZHU
Literature Reference Citation J.NAT.PROD.,74,1298(2011)
Literature Reference DOI 10.1021/np1008976
Molecular Weight 754.102 g/mol
Sample ID 38368
Solvent DMSO-D6