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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 B85a8U1DgBs
InChI InChI=1S/C65H106O31/c1-25-36(70)41(75)46(80)54(87-25)93-50-31(21-67)90-53(49(83)45(50)79)86-23-32-40(74)44(78)52(95-56-48(82)43(77)39(73)30(20-66)89-56)58(91-32)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)92-57-51(38(72)29(69)22-85-57)94-55-47(81)42(76)37(71)26(2)88-55/h9,25-26,28-58,66-83H,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+,58+,61+,62+,63-,64-,65+/m1/s1
InChIKey UCOKWZRYDSCDAB-LWWHOAHWSA-N
Mol Weight 1383.5 g/mol
Molecular Formula C65H106O31
Exact Mass 1382.671807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A6MI4GHQtjM
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 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H106O31
InChI InChI=1S/C65H106O31/c1-25-36(70)41(75)46(80)54(87-25)93-50-31(21-67)90-53(49(83)45(50)79)86-23-32-40(74)44(78)52(95-56-48(82)43(77)39(73)30(20-66)89-56)58(91-32)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)92-57-51(38(72)29(69)22-85-57)94-55-47(81)42(76)37(71)26(2)88-55/h9,25-26,28-58,66-83H,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+,58+,61+,62+,63-,64-,65+/m1/s1
InChIKey UCOKWZRYDSCDAB-LWWHOAHWSA-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 1383.538 g/mol
Solvent C5D5N
Source File Reference UWMS1606