For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
VERBACOSIDE-PENTAACETATE
SpectraBase Compound ID CgG4iSMhX0F
InChI InChI=1S/C39H46O20/c1-18-32(53-20(3)41)34(54-21(4)42)37(56-23(6)44)39(52-18)59-35-33(58-31(49)12-9-24-7-10-26(45)28(47)15-24)30(17-51-19(2)40)57-38(36(35)55-22(5)43)50-14-13-25-8-11-27(46)29(48)16-25/h7-12,15-16,18,30,32-39,45-48H,13-14,17H2,1-6H3/b12-9+/t18-,30-,32-,33-,34+,35+,36-,37+,38-,39-/m0/s1
InChIKey XZKKILCLQIINLY-BAQGPKHJSA-N
Mol Weight 834.8 g/mol
Molecular Formula C39H46O20
Exact Mass 834.258244 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 EvXL8YKsjZj
Name VERBACOSIDE-PENTAACETATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H46O20
InChI InChI=1S/C39H46O20/c1-18-32(53-20(3)41)34(54-21(4)42)37(56-23(6)44)39(52-18)59-35-33(58-31(49)12-9-24-7-10-26(45)28(47)15-24)30(17-51-19(2)40)57-38(36(35)55-22(5)43)50-14-13-25-8-11-27(46)29(48)16-25/h7-12,15-16,18,30,32-39,45-48H,13-14,17H2,1-6H3/b12-9+/t18-,30-,32-,33-,34+,35+,36-,37+,38-,39-/m0/s1
InChIKey XZKKILCLQIINLY-BAQGPKHJSA-N
Literature Reference Author M.R.KERNAN,A.AMARQUAYE,J.L.CHEN,J.CHAN,D.F.SESIN,N.PARKINSON ,Z.J.YE,M.BARRETT,C.
Literature Reference Citation J.NAT.PROD.,61,564(1998)
Literature Reference DOI 10.1021/np9703914
Molecular Weight 834.782 g/mol
Solvent CDCl3
Source File Reference UWMZ592