John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Eg9OBT0WMgb SpectraBase Spectrum ID=1kKOrQNt4MF

(accessed ).
#2;SAPONARIOSIDE-B;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-QUILLAIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D
SpectraBase Compound ID Eg9OBT0WMgb
InChI InChI=1S/C77H120O41/c1-26-54(108-29(4)80)44(89)49(94)66(105-26)112-56-28(3)107-69(59(51(56)96)115-67-50(95)45(90)55(27(2)106-67)111-65-53(98)57(34(83)24-104-65)113-63-46(91)40(85)32(81)22-102-63)118-71(101)77-18-17-72(5,6)19-31(77)30-11-12-37-73(7)15-14-39(74(8,25-79)36(73)13-16-75(37,9)76(30,10)20-38(77)84)110-70-60(116-68-48(93)43(88)42(87)35(21-78)109-68)52(97)58(61(117-70)62(99)100)114-64-47(92)41(86)33(82)23-103-64/h11,25-28,31-61,63-70,78,81-98H,12-24H2,1-10H3,(H,99,100)/t26-,27+,28-,31+,32+,33+,34+,35-,36?,37?,38-,39+,40-,41-,42+,43+,44-,45+,46+,47+,48-,49-,50-,51+,52+,53+,54-,55+,56+,57-,58+,59-,60-,61+,63-,64-,65-,66+,67+,68+,69+,70-,73+,74+,75-,76-,77-/m1/s1
InChIKey CQCMWZXMYOAZSX-GJYWMNTRSA-N
Mol Weight 1701.8 g/mol
Molecular Formula C77H120O41
Exact Mass 1700.730505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kKOrQNt4MF
Name #2;SAPONARIOSIDE-B;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-QUILLAIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C77H120O41
InChI InChI=1S/C77H120O41/c1-26-54(108-29(4)80)44(89)49(94)66(105-26)112-56-28(3)107-69(59(51(56)96)115-67-50(95)45(90)55(27(2)106-67)111-65-53(98)57(34(83)24-104-65)113-63-46(91)40(85)32(81)22-102-63)118-71(101)77-18-17-72(5,6)19-31(77)30-11-12-37-73(7)15-14-39(74(8,25-79)36(73)13-16-75(37,9)76(30,10)20-38(77)84)110-70-60(116-68-48(93)43(88)42(87)35(21-78)109-68)52(97)58(61(117-70)62(99)100)114-64-47(92)41(86)33(82)23-103-64/h11,25-28,31-61,63-70,78,81-98H,12-24H2,1-10H3,(H,99,100)/t26-,27+,28-,31+,32+,33+,34+,35-,36?,37?,38-,39+,40-,41-,42+,43+,44-,45+,46+,47+,48-,49-,50-,51+,52+,53+,54-,55+,56+,57-,58+,59-,60-,61+,63-,64-,65-,66+,67+,68+,69+,70-,73+,74+,75-,76-,77-/m1/s1
InChIKey CQCMWZXMYOAZSX-GJYWMNTRSA-N
Literature Reference Author Z.JIA,K.KOIKE,T.NIKAIDO
Literature Reference Citation J.NAT.PROD.,61,1368(1998)
Literature Reference DOI 10.1021/np980167u
Molecular Weight 1701.775 g/mol
Solvent C5D5N
Source File Reference UWCS20439
SpectraBase Batch ID 22773fPDmpe