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3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL]-HEDERAGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-[BETA-D
SpectraBase Compound ID DwqnTxD3Byc
InChI InChI=1S/C64H104O30/c1-25-36(69)41(74)46(79)54(86-25)91-49-31(20-65)88-52(48(81)44(49)77)85-23-32-40(73)43(76)51(92-53-45(78)38(71)29(67)21-83-53)57(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-56-50(39(72)30(68)22-84-56)93-55-47(80)42(75)37(70)26(2)87-55/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26+,28+,29-,30+,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+,60+,61+,62-,63-,64+/m1/s1
InChIKey NBENDOXTUHHPIE-GYTJJNDFSA-N
Mol Weight 1353.5 g/mol
Molecular Formula C64H104O30
Exact Mass 1352.661242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GmShR1mYzcL
Name 3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL]-HEDERAGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-[BETA-D
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H104O30
InChI InChI=1S/C64H104O30/c1-25-36(69)41(74)46(79)54(86-25)91-49-31(20-65)88-52(48(81)44(49)77)85-23-32-40(73)43(76)51(92-53-45(78)38(71)29(67)21-83-53)57(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-56-50(39(72)30(68)22-84-56)93-55-47(80)42(75)37(70)26(2)87-55/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26+,28+,29-,30+,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+,60+,61+,62-,63-,64+/m1/s1
InChIKey NBENDOXTUHHPIE-GYTJJNDFSA-N
Literature Reference Author F.R.MELEK,T.MIYASE,S.M.ABDEL-KHALIK,M.H.HETTA,I.I.MAHMOUD
Literature Reference Citation PHYTOCHEM.,60,185(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00058-4
Molecular Weight 1353.512 g/mol
Solvent C5D5N
Source File Reference UWMS1605