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MARSTOMENTOSIDE-S;PENUPOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSID
SpectraBase Compound ID Hk7NgL4Bmfp
InChI InChI=1S/C57H86O22/c1-28-47(77-42-25-36(69-8)48(29(2)72-42)78-52-46(64)50(70-9)49(30(3)73-52)79-51-45(63)44(62)43(61)37(27-58)75-51)35(68-7)24-41(71-28)74-34-18-19-53(5)33(23-34)17-20-56(66)38(53)26-39(76-40(60)16-15-32-13-11-10-12-14-32)54(6)55(65,31(4)59)21-22-57(54,56)67/h10-17,28-31,34-39,41-52,58-59,61-67H,18-27H2,1-9H3/b16-15+/t28-,29+,30-,31+,34+,35+,36-,37+,38?,39-,41+,42-,43+,44-,45+,46-,47-,48+,49-,50-,51-,52+,53+,54-,55-,56+,57-/m1/s1
InChIKey BKDNFSUKSZWGQG-YUBRQXJVSA-N
Mol Weight 1123.3 g/mol
Molecular Formula C57H86O22
Exact Mass 1122.561074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6Xz3dnRZeJ
Name MARSTOMENTOSIDE-S;PENUPOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSID
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H86O22
InChI InChI=1S/C57H86O22/c1-28-47(77-42-25-36(69-8)48(29(2)72-42)78-52-46(64)50(70-9)49(30(3)73-52)79-51-45(63)44(62)43(61)37(27-58)75-51)35(68-7)24-41(71-28)74-34-18-19-53(5)33(23-34)17-20-56(66)38(53)26-39(76-40(60)16-15-32-13-11-10-12-14-32)54(6)55(65,31(4)59)21-22-57(54,56)67/h10-17,28-31,34-39,41-52,58-59,61-67H,18-27H2,1-9H3/b16-15+/t28-,29+,30-,31+,34+,35+,36-,37+,38?,39-,41+,42-,43+,44-,45+,46-,47-,48+,49-,50-,51-,52+,53+,54-,55-,56+,57-/m1/s1
InChIKey BKDNFSUKSZWGQG-YUBRQXJVSA-N
Literature Reference Author F.ABE,T.YAMAUCHI,K.HONDA,N.HAYASHI
Literature Reference Citation CHEM.PHARM.BULL.,48,154(2000)
Literature Reference DOI 10.1248/cpb.48.154
Molecular Weight 1123.297 g/mol
Solvent C5D5N
Source File Reference UWLU4889