John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2eFLkLiJjVG SpectraBase Spectrum ID=3m0to0DM5Da

(accessed ).
EPIBREYNIN_H;24-METHOXY-BETA-SULFOXIDEBREYNOGENIN_3-O-[ALPHA-RHAMNOPYRANOSYL-(1->3)]-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL
SpectraBase Compound ID 2eFLkLiJjVG
InChI InChI=1S/C47H68O28S/c1-14-12-65-46(10-22(14)69-40(60)18-6-7-20(49)21(8-18)64-5)45(61)47(62)25(50)9-19-24(13-76(63)38(19)39(47)75-46)71-43-36(32(57)28(53)17(4)68-43)73-44-37(74-42-34(59)31(56)27(52)16(3)67-42)35(29(54)23(11-48)70-44)72-41-33(58)30(55)26(51)15(2)66-41/h6-8,14-17,19,22-39,41-44,48-59,62H,9-13H2,1-5H3/t14-,15-,16-,17+,19-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36+,37+,38+,39-,41-,42-,43-,44-,46+,47-,76?/m1/s1
InChIKey UIPAARDLEGMHCG-YFJYNAFVSA-N
Mol Weight 1113.1 g/mol
Molecular Formula C47H68O28S
Exact Mass 1112.361784 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3m0to0DM5Da
Name EPIBREYNIN_H;24-METHOXY-BETA-SULFOXIDEBREYNOGENIN_3-O-[ALPHA-RHAMNOPYRANOSYL-(1->3)]-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H68O28S
InChI InChI=1S/C47H68O28S/c1-14-12-65-46(10-22(14)69-40(60)18-6-7-20(49)21(8-18)64-5)45(61)47(62)25(50)9-19-24(13-76(63)38(19)39(47)75-46)71-43-36(32(57)28(53)17(4)68-43)73-44-37(74-42-34(59)31(56)27(52)16(3)67-42)35(29(54)23(11-48)70-44)72-41-33(58)30(55)26(51)15(2)66-41/h6-8,14-17,19,22-39,41-44,48-59,62H,9-13H2,1-5H3/t14-,15-,16-,17+,19-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36+,37+,38+,39-,41-,42-,43-,44-,46+,47-,76?/m1/s1
InChIKey UIPAARDLEGMHCG-YFJYNAFVSA-N
Literature Reference Author D.MENG,W.CHEN,W.ZHAO
Literature Reference Citation J.NAT.PROD.,70,824(2007)
Literature Reference DOI 10.1021/np0606300
Molecular Weight 1113.100 g/mol
Sample ID 30307
Solvent CD3OD
SpectraBase Batch ID AnvlsI47T5O