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9,11-DEHYDROMANOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL
SpectraBase Compound ID 6k2cTowA6qF
InChI InChI=1S/C56H88O28/c1-19-8-9-56(74-17-19)20(2)34-28(84-56)11-25-23-7-6-22-10-27(26(60)13-54(22,4)24(23)12-33(61)55(25,34)5)76-51-45(72)41(68)46(31(16-59)79-51)81-53-48(83-52-44(71)40(67)36(63)29(14-57)77-52)47(38(65)30(15-58)78-53)82-49-42(69)37(64)32(18-73-49)80-50-43(70)39(66)35(62)21(3)75-50/h12,19-23,25-32,34-53,57-60,62-72H,6-11,13-18H2,1-5H3/t19-,20-,21+,22?,23?,25-,26+,27+,28?,29+,30+,31-,32-,34?,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+/m0/s1
InChIKey VTYCBAIGXLHNLQ-SUQHKOMBSA-N
Mol Weight 1209.3 g/mol
Molecular Formula C56H88O28
Exact Mass 1208.546212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQBpOlSGspx
Name 9,11-DEHYDROMANOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H88O28
InChI InChI=1S/C56H88O28/c1-19-8-9-56(74-17-19)20(2)34-28(84-56)11-25-23-7-6-22-10-27(26(60)13-54(22,4)24(23)12-33(61)55(25,34)5)76-51-45(72)41(68)46(31(16-59)79-51)81-53-48(83-52-44(71)40(67)36(63)29(14-57)77-52)47(38(65)30(15-58)78-53)82-49-42(69)37(64)32(18-73-49)80-50-43(70)39(66)35(62)21(3)75-50/h12,19-23,25-32,34-53,57-60,62-72H,6-11,13-18H2,1-5H3/t19-,20-,21+,22?,23?,25-,26+,27+,28?,29+,30+,31-,32-,34?,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+/m0/s1
InChIKey VTYCBAIGXLHNLQ-SUQHKOMBSA-N
Literature Reference Author Y.MIMAKI,M.KURODA,A.KAMEYAMA,A.YOKOSUKA,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,48,1361(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00157-5
Molecular Weight 1209.298 g/mol
Solvent C5D5N
Source File Reference UWMS1480