John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Bc7XRaK7eUt SpectraBase Spectrum ID=3m8kYPfnQ6z

(accessed ).
2,6-DIMETHOXY-3-(3-METHYL-BUT-2-EN-YL)-PHENOL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID Bc7XRaK7eUt
InChI InChI=1S/C47H44O12/c1-30(2)25-26-31-27-28-36(52-3)39(38(31)53-4)59-47-42(58-46(51)35-23-15-8-16-24-35)41(57-45(50)34-21-13-7-14-22-34)40(56-44(49)33-19-11-6-12-20-33)37(55-47)29-54-43(48)32-17-9-5-10-18-32/h5-25,27-28,37,40-42,47H,26,29H2,1-4H3/t37-,40+,41+,42-,47+/m0/s1
InChIKey RGBFHTNECZSICJ-QFEQKKCESA-N
Mol Weight 800.9 g/mol
Molecular Formula C47H44O12
Exact Mass 800.283277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3m8kYPfnQ6z
Name 2,6-DIMETHOXY-3-(3-METHYL-BUT-2-EN-YL)-PHENOL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSIDE
Compound Number 1 9
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H44O12
InChI InChI=1S/C47H44O12/c1-30(2)25-26-31-27-28-36(52-3)39(38(31)53-4)59-47-42(58-46(51)35-23-15-8-16-24-35)41(57-45(50)34-21-13-7-14-22-34)40(56-44(49)33-19-11-6-12-20-33)37(55-47)29-54-43(48)32-17-9-5-10-18-32/h5-25,27-28,37,40-42,47H,26,29H2,1-4H3/t37-,40+,41+,42-,47+/m0/s1
InChIKey RGBFHTNECZSICJ-QFEQKKCESA-N
Literature Reference Author M.W.B.MCCULLOCH,B.HALTLI,D.H.MARCHBANK,R.G.KERR
Literature Reference Citation MAR.DRUGS,10,1711(2012)
Literature Reference DOI 10.3390/md10081711
Molecular Weight 800.859 g/mol
Source File Reference UWIR5895
SpectraBase Batch ID BCc0CF0j4mY