John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3OuNtogKhWa SpectraBase Spectrum ID=1iD3XVyaPLU

(accessed ).
CATUNAROSIDE-J;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-ARJUNIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 3OuNtogKhWa
InChI InChI=1S/C54H88O25/c1-49(2)12-14-54(48(71)79-46-39(69)36(66)32(62)25(19-57)74-46)15-13-52(6)21(29(54)42(49)70)8-9-28-51(5)16-22(59)43(50(3,4)27(51)10-11-53(28,52)7)78-47-41(77-45-38(68)35(65)31(61)24(18-56)73-45)40(33(63)26(20-58)75-47)76-44-37(67)34(64)30(60)23(17-55)72-44/h8,22-47,55-70H,9-20H2,1-7H3/t22-,23-,24+,25-,26-,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37-,38+,39-,40+,41-,42+,43+,44+,45-,46+,47+,51+,52-,53-,54+/m1/s1
InChIKey ANJPGTHCAABDSY-IZKHBOSLSA-N
Mol Weight 1137.3 g/mol
Molecular Formula C54H88O25
Exact Mass 1136.561469 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iD3XVyaPLU
Name CATUNAROSIDE-J;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-ARJUNIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H88O25
InChI InChI=1S/C54H88O25/c1-49(2)12-14-54(48(71)79-46-39(69)36(66)32(62)25(19-57)74-46)15-13-52(6)21(29(54)42(49)70)8-9-28-51(5)16-22(59)43(50(3,4)27(51)10-11-53(28,52)7)78-47-41(77-45-38(68)35(65)31(61)24(18-56)73-45)40(33(63)26(20-58)75-47)76-44-37(67)34(64)30(60)23(17-55)72-44/h8,22-47,55-70H,9-20H2,1-7H3/t22-,23-,24+,25-,26-,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37-,38+,39-,40+,41-,42+,43+,44+,45-,46+,47+,51+,52-,53-,54+/m1/s1
InChIKey ANJPGTHCAABDSY-IZKHBOSLSA-N
Literature Reference Author J.LI,X.HUANG,X.H.JIANG,Q.F.ZHU,Y.YANG,G.C.GAO
Literature Reference Citation CHEM.PHARM.BULL.,63,388(2015)
Literature Reference DOI 10.1248/cpb.c15-00055
Molecular Weight 1137.278 g/mol
Solvent C5D5N
Source File Reference UWPA10064
SpectraBase Batch ID 35HLT8j4Cj4