John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=D7j8tV3uv8y SpectraBase Spectrum ID=10dQIzQcVro

(accessed ).
MULTIFIDIN-I;(11S)-CONVOLVULINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[4-O-(2S)-2-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-(2-
SpectraBase Compound ID D7j8tV3uv8y
InChI InChI=1S/C59H102O25/c1-9-12-13-14-16-20-24-28-38(62)79-53-52(84-56-44(68)41(65)40(64)36(29-60)77-56)49(82-55-45(69)43(67)47(32(6)73-55)80-54(71)30(4)11-3)34(8)75-59(53)81-48-33(7)74-58-51(46(48)70)78-37(61)27-23-21-18-15-17-19-22-26-35(25-10-2)76-57-50(83-58)42(66)39(63)31(5)72-57/h30-36,39-53,55-60,63-70H,9-29H2,1-8H3/t30-,31+,32-,33-,34-,35-,36+,39-,40+,41-,42-,43-,44+,45+,46+,47-,48-,49-,50+,51+,52+,53+,55-,56-,57-,58-,59-/m0/s1
InChIKey VYTPDYPOQLIIJK-YEYNAETOSA-N
Mol Weight 1211.4 g/mol
Molecular Formula C59H102O25
Exact Mass 1210.67102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10dQIzQcVro
Name MULTIFIDIN-I;(11S)-CONVOLVULINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[4-O-(2S)-2-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-(2-
Compound Number 11
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H102O25
InChI InChI=1S/C59H102O25/c1-9-12-13-14-16-20-24-28-38(62)79-53-52(84-56-44(68)41(65)40(64)36(29-60)77-56)49(82-55-45(69)43(67)47(32(6)73-55)80-54(71)30(4)11-3)34(8)75-59(53)81-48-33(7)74-58-51(46(48)70)78-37(61)27-23-21-18-15-17-19-22-26-35(25-10-2)76-57-50(83-58)42(66)39(63)31(5)72-57/h30-36,39-53,55-60,63-70H,9-29H2,1-8H3/t30-,31+,32-,33-,34-,35-,36+,39-,40+,41-,42-,43-,44+,45+,46+,47-,48-,49-,50+,51+,52+,53+,55-,56-,57-,58-,59-/m0/s1
InChIKey VYTPDYPOQLIIJK-YEYNAETOSA-N
Literature Reference Author M.ONO,F.HONDA,A.KARAHASHI,T.KAWASAKI,K.MIYAHARA
Literature Reference Citation CHEM.PHARM.BULL.,45,1955(1997)
Literature Reference DOI 10.1248/cpb.45.1955
Molecular Weight 1211.444 g/mol
Solvent C5D5N
Source File Reference UWVN28930
SpectraBase Batch ID LFpwQ2sxP1W