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3-O-BETA-D-XYLOPYRANOSYL-ASTRANTIASAPONIN-VII;3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL]-3-BETA,23-D
SpectraBase Compound ID ATABwoSz0oG
InChI InChI=1S/C64H104O30/c1-25-36(69)42(75)47(80)54(86-25)93-51-44(77)41(74)32(23-85-52-46(79)43(76)40(73)31(20-65)88-52)89-57(51)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)92-55-48(81)49(37(70)26(2)87-55)91-53-45(78)38(71)29(67)21-83-53/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-/m0/s1
InChIKey GTUICKMHVRKDMF-BYFQXQRVSA-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 El1jjY7kOqw
Name 3-O-BETA-D-XYLOPYRANOSYL-ASTRANTIASAPONIN-VII;3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL]-3-BETA,23-D
Compound Number 4
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)42(75)47(80)54(86-25)93-51-44(77)41(74)32(23-85-52-46(79)43(76)40(73)31(20-65)88-52)89-57(51)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)92-55-48(81)49(37(70)26(2)87-55)91-53-45(78)38(71)29(67)21-83-53/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-/m0/s1
InChIKey GTUICKMHVRKDMF-BYFQXQRVSA-N
Literature Reference Author C.LAVAUD,M.L.CRUBLET,I.POUNY,M.LITAUDON,T.SEVENET
Literature Reference Citation PHYTOCHEM.,57,469(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00063-2
Molecular Weight 1353.512 g/mol
Solvent CD3OD
Source File Reference UWVN2234