John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IumUMjl3Mal SpectraBase Spectrum ID=1KYoJKOsn6v

(accessed ).
2'-O-ACETYL-3'-O-BETA-D-GLUCOPYRANOSYL-CALCEOLARIOSIDE-B;AESCHYNANTHOSIDE-D
SpectraBase Compound ID IumUMjl3Mal
InChI InChI=1S/C30H36O16/c1-14(31)44-28-27(46-29-26(40)24(38)21(36)12-43-29)25(39)22(13-42-23(37)7-4-15-2-5-17(32)19(34)10-15)45-30(28)41-9-8-16-3-6-18(33)20(35)11-16/h2-7,10-11,21-22,24-30,32-36,38-40H,8-9,12-13H2,1H3/b7-4+/t21-,22-,24+,25-,26-,27+,28-,29+,30-/m1/s1
InChIKey PZVHFOCFZHCXTR-CWQKXXBOSA-N
Mol Weight 652.6 g/mol
Molecular Formula C30H36O16
Exact Mass 652.200336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KYoJKOsn6v
Name 2'-O-ACETYL-3'-O-BETA-D-GLUCOPYRANOSYL-CALCEOLARIOSIDE-B;AESCHYNANTHOSIDE-D
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H36O16
InChI InChI=1S/C30H36O16/c1-14(31)44-28-27(46-29-26(40)24(38)21(36)12-43-29)25(39)22(13-42-23(37)7-4-15-2-5-17(32)19(34)10-15)45-30(28)41-9-8-16-3-6-18(33)20(35)11-16/h2-7,10-11,21-22,24-30,32-36,38-40H,8-9,12-13H2,1H3/b7-4+/t21-,22-,24+,25-,26-,27+,28-,29+,30-/m1/s1
InChIKey PZVHFOCFZHCXTR-CWQKXXBOSA-N
Literature Reference Author S.M.LI,X.W.YANG,Y.H.SHEN,L.FENG,Y.H.WANG,H.W.ZENG,X.H.LIU,J. M.TIAN,Y.N.SHI,C.L.L
Literature Reference Citation PHYTOCHEM.,69,2200(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.05.012
Molecular Weight 652.606 g/mol
Sample ID 63745
Solvent CD3OD
SpectraBase Batch ID EHcDSVs1lWM