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

*Links on SpectraBase are not permalinks.
3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->4)]-BETA-D-METHYLGLUCURONOPYRANOSYL]-OLEANOLIC-ACID-METHYLESTER-PERACETYLATED
SpectraBase Compound ID BWHR1FCR41e
InChI InChI=1S/C65H94O26/c1-31(66)78-29-42-46(89-56-52(85-37(7)72)47(81-33(3)68)41(30-79-56)80-32(2)67)48(82-34(4)69)53(86-38(8)73)57(87-42)91-54-50(84-36(6)71)49(83-35(5)70)51(55(74)76-16)90-58(54)88-45-21-22-62(13)43(61(45,11)12)20-23-64(15)44(62)19-18-39-40-28-60(9,10)24-26-65(40,59(75)77-17)27-25-63(39,64)14/h18,40-54,56-58H,19-30H2,1-17H3/t40-,41-,42+,43-,44+,45-,46+,47+,48-,49-,50-,51-,52-,53+,54+,56+,57-,58+,62-,63+,64+,65-/m0/s1
InChIKey FFEOSXIOGIAGNG-LJHDHEIDSA-N
Mol Weight 1291.4 g/mol
Molecular Formula C65H94O26
Exact Mass 1290.603333 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 HOl8IoBwxCa
Name 3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->4)]-BETA-D-METHYLGLUCURONOPYRANOSYL]-OLEANOLIC-ACID-METHYLESTER-PERACETYLATED
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H94O26
InChI InChI=1S/C65H94O26/c1-31(66)78-29-42-46(89-56-52(85-37(7)72)47(81-33(3)68)41(30-79-56)80-32(2)67)48(82-34(4)69)53(86-38(8)73)57(87-42)91-54-50(84-36(6)71)49(83-35(5)70)51(55(74)76-16)90-58(54)88-45-21-22-62(13)43(61(45,11)12)20-23-64(15)44(62)19-18-39-40-28-60(9,10)24-26-65(40,59(75)77-17)27-25-63(39,64)14/h18,40-54,56-58H,19-30H2,1-17H3/t40-,41-,42+,43-,44+,45-,46+,47+,48-,49-,50-,51-,52-,53+,54+,56+,57-,58+,62-,63+,64+,65-/m0/s1
InChIKey FFEOSXIOGIAGNG-LJHDHEIDSA-N
Literature Reference Author A.PENDERS,C.DELAUDE
Literature Reference Citation PHYTOCHEM.,37,821(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90364-9
Molecular Weight 1291.446 g/mol
Solvent CDCl3
Source File Reference UWLU23503