John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=ZxYt6k5Jls SpectraBase Spectrum ID=3lthe5uIPbZ

(accessed ).
3,11-DIHYDROXYTETRADECANOIC-ACID-11-O-BETA-QUINOVOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL-(1->3)-[ALPHA-RHAMNOPYRANOSYL-(1->4)]-QUINOVOPYRANOSYL)-(1->2)-BETA-GLUC
SpectraBase Compound ID ZxYt6k5Jls
InChI InChI=1S/C50H88O30/c1-6-12-23(14-11-9-7-8-10-13-22(53)15-26(54)55)73-48-42(34(63)29(58)20(4)71-48)80-50-44(36(65)31(60)25(17-52)75-50)79-47-39(68)41(40(21(5)72-47)76-45-37(66)32(61)27(56)18(2)69-45)77-49-43(35(64)30(59)24(16-51)74-49)78-46-38(67)33(62)28(57)19(3)70-46/h18-25,27-53,56-68H,6-17H2,1-5H3,(H,54,55)/t18-,19-,20+,21+,22?,23?,24-,25+,27-,28-,29-,30-,31+,32+,33+,34-,35+,36-,37+,38-,39+,40+,41+,42+,43-,44+,45-,46+,47-,48-,49+,50-/m1/s1
InChIKey XYVNPFSOKQESQT-NFRVLGEOSA-N
Mol Weight 1169.2 g/mol
Molecular Formula C50H88O30
Exact Mass 1168.536042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lthe5uIPbZ
Name 3,11-DIHYDROXYTETRADECANOIC-ACID-11-O-BETA-QUINOVOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL-(1->3)-[ALPHA-RHAMNOPYRANOSYL-(1->4)]-QUINOVOPYRANOSYL)-(1->2)-BETA-GLUC
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H88O30
InChI InChI=1S/C50H88O30/c1-6-12-23(14-11-9-7-8-10-13-22(53)15-26(54)55)73-48-42(34(63)29(58)20(4)71-48)80-50-44(36(65)31(60)25(17-52)75-50)79-47-39(68)41(40(21(5)72-47)76-45-37(66)32(61)27(56)18(2)69-45)77-49-43(35(64)30(59)24(16-51)74-49)78-46-38(67)33(62)28(57)19(3)70-46/h18-25,27-53,56-68H,6-17H2,1-5H3,(H,54,55)/t18-,19-,20+,21+,22?,23?,24-,25+,27-,28-,29-,30-,31+,32+,33+,34-,35+,36-,37+,38-,39+,40+,41+,42+,43-,44+,45-,46+,47-,48-,49+,50-/m1/s1
InChIKey XYVNPFSOKQESQT-NFRVLGEOSA-N
Literature Reference Author J.K.MACLEOD,A.WARD,P.B.OELRICHS
Literature Reference Citation J.NAT.PROD.,60,467(1997)
Literature Reference DOI 10.1021/np960693q
Molecular Weight 1169.231 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCP547
SpectraBase Batch ID 6iUDN0jXCQ6