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CLEMONTOSIDE-C
SpectraBase Compound ID HOjHUGMnhLj
InChI InChI=1S/C46H74O16/c1-22-30(50)35(61-37-33(53)31(51)25(48)19-57-37)34(54)38(59-22)62-36-32(52)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8,22,24-39,47-54H,9-21H2,1-7H3,(H,55,56)/t22-,24-,25-,26-,27?,28?,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,42-,43-,44+,45+,46-/m0/s1
InChIKey IAGSHEHQJJTLLR-VDZHYVQVSA-N
Mol Weight 883.1 g/mol
Molecular Formula C46H74O16
Exact Mass 882.497686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LyibBRb2NM
Name CLEMONTOSIDE-C
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H74O16
InChI InChI=1S/C46H74O16/c1-22-30(50)35(61-37-33(53)31(51)25(48)19-57-37)34(54)38(59-22)62-36-32(52)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8,22,24-39,47-54H,9-21H2,1-7H3,(H,55,56)/t22-,24-,25-,26-,27?,28?,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,42-,43-,44+,45+,46-/m0/s1
InChIKey IAGSHEHQJJTLLR-VDZHYVQVSA-N
Literature Reference Author C.LAVAUD,M.L.CRUBLET,I.POUNY,M.LITAUDON,T.SEVENET
Literature Reference Citation PHYTOCHEM.,57,469(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00063-2
Molecular Weight 883.084 g/mol
Solvent CD3OD
Source File Reference UWVN2240