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#3;BATATOSIDE-V;(S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[(2-O-(TRANS)-CINNAMOYL)-(4-O-N-DECANOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-O-N-D
SpectraBase Compound ID 5pQokBtFOXL
InChI InChI=1S/C77H126O25/c1-9-12-15-17-19-20-24-28-37-44-56(80)98-72-71(102-73-62(86)60(84)58(82)47(4)89-73)67(100-75-69(97-57(81)46-45-52-38-32-30-33-39-52)63(87)65(49(6)91-75)95-54(78)42-35-27-22-18-16-13-10-2)51(8)93-77(72)99-66-50(7)92-76-70(64(66)88)96-55(79)43-36-29-25-21-23-26-34-41-53(40-31-14-11-3)94-74-68(101-76)61(85)59(83)48(5)90-74/h30,32-33,38-39,45-51,53,58-77,82-88H,9-29,31,34-37,40-44H2,1-8H3/b46-45+/t47-,48+,49-,50-,51-,53-,58-,59-,60+,61-,62+,63+,64+,65-,66-,67-,68+,69+,70+,71+,72+,73-,74-,75-,76-,77-/m0/s1
InChIKey IQHNLTKUDBCNJA-VAMNSEPSSA-N
Mol Weight 1451.8 g/mol
Molecular Formula C77H126O25
Exact Mass 1450.85882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQQbXe4Ydqf
Name #3;BATATOSIDE-V;(S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[(2-O-(TRANS)-CINNAMOYL)-(4-O-N-DECANOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-O-N-D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C77H126O25
InChI InChI=1S/C77H126O25/c1-9-12-15-17-19-20-24-28-37-44-56(80)98-72-71(102-73-62(86)60(84)58(82)47(4)89-73)67(100-75-69(97-57(81)46-45-52-38-32-30-33-39-52)63(87)65(49(6)91-75)95-54(78)42-35-27-22-18-16-13-10-2)51(8)93-77(72)99-66-50(7)92-76-70(64(66)88)96-55(79)43-36-29-25-21-23-26-34-41-53(40-31-14-11-3)94-74-68(101-76)61(85)59(83)48(5)90-74/h30,32-33,38-39,45-51,53,58-77,82-88H,9-29,31,34-37,40-44H2,1-8H3/b46-45+/t47-,48+,49-,50-,51-,53-,58-,59-,60+,61-,62+,63+,64+,65-,66-,67-,68+,69+,70+,71+,72+,73-,74-,75-,76-,77-/m0/s1
InChIKey IQHNLTKUDBCNJA-VAMNSEPSSA-N
Literature Reference Author Y.Q.YIN,X.F.HUANG,L.Y.KONG,M.NIWA
Literature Reference Citation CHEM.PHARM.BULL.,56,1670(2008)
Literature Reference DOI 10.1248/cpb.56.1670
Molecular Weight 1451.832 g/mol
Sample ID 2466
Solvent C5D5N