John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BcE1cOtUjpl SpectraBase Spectrum ID=1K26P7MAmGR

(accessed ).
GUAIACIN-D;BETA-D-GLUCOPYRANOSYL-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(3->1)-BETA-D-GLUCOPYRANOSYL]-30-NOROLEAN-12,20-(29)-
SpectraBase Compound ID BcE1cOtUjpl
InChI InChI=1S/C52H82O21/c1-22-10-15-52(47(65)73-45-40(64)37(61)34(58)28(20-54)69-45)17-16-50(6)24(25(52)18-22)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)70-46-42(72-43-38(62)35(59)32(56)23(2)67-43)41(26(55)21-66-46)71-44-39(63)36(60)33(57)27(19-53)68-44/h8,23,25-46,53-64H,1,9-21H2,2-7H3/t23-,25?,26+,27-,28-,29?,30?,31+,32-,33-,34-,35+,36+,37+,38+,39-,40-,41+,42?,43-,44+,45+,46+,49+,50-,51-,52+/m1/s1
InChIKey IFKVQLFRSXXGJD-DMULMJRZSA-N
Mol Weight 1043.2 g/mol
Molecular Formula C52H82O21
Exact Mass 1042.53486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1K26P7MAmGR
Name GUAIACIN-D;BETA-D-GLUCOPYRANOSYL-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(3->1)-BETA-D-GLUCOPYRANOSYL]-30-NOROLEAN-12,20-(29)-
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H82O21
InChI InChI=1S/C52H82O21/c1-22-10-15-52(47(65)73-45-40(64)37(61)34(58)28(20-54)69-45)17-16-50(6)24(25(52)18-22)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)70-46-42(72-43-38(62)35(59)32(56)23(2)67-43)41(26(55)21-66-46)71-44-39(63)36(60)33(57)27(19-53)68-44/h8,23,25-46,53-64H,1,9-21H2,2-7H3/t23-,25?,26+,27-,28-,29?,30?,31+,32-,33-,34-,35+,36+,37+,38+,39-,40-,41+,42?,43-,44+,45+,46+,49+,50-,51-,52+/m1/s1
InChIKey IFKVQLFRSXXGJD-DMULMJRZSA-N
Literature Reference Author M.KONISHI,Y.HANO,M.TAKAYAMA,T.NOMURA,A.S.HAMZAH,R.B.AHMAD,H. JASMANI
Literature Reference Citation PHYTOCHEM.,48,525(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00038-7
Molecular Weight 1043.210 g/mol
Solvent CD3OD
Source File Reference UWMS1065
SpectraBase Batch ID 11tx1Qr35Ja