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LEONTICIN-E
SpectraBase Compound ID ErbQx7OQp8d
InChI InChI=1S/C65H106O31/c1-25-36(70)40(74)45(79)54(87-25)94-51-31(22-68)90-53(49(83)44(51)78)86-24-32-39(73)43(77)48(82)57(91-32)96-59(84)65-17-15-60(2,3)19-27(65)26-9-10-34-62(6)13-12-35(61(4,5)33(62)11-14-64(34,8)63(26,7)16-18-65)92-58-52(95-56-47(81)42(76)38(72)30(21-67)89-56)50(28(69)23-85-58)93-55-46(80)41(75)37(71)29(20-66)88-55/h9,25,27-58,66-83H,10-24H2,1-8H3/t25-,27+,28+,29-,30+,31-,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45+,46-,47+,48-,49-,50+,51-,52-,53-,54-,55+,56-,57+,58+,62+,63-,64-,65+/m1/s1
InChIKey WKFFFKKWDNJSNL-NXCMTGJWSA-N
Mol Weight 1383.5 g/mol
Molecular Formula C65H106O31
Exact Mass 1382.671807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4t8Rv0J98yk
Name LEONTICIN-E
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H106O31
InChI InChI=1S/C65H106O31/c1-25-36(70)40(74)45(79)54(87-25)94-51-31(22-68)90-53(49(83)44(51)78)86-24-32-39(73)43(77)48(82)57(91-32)96-59(84)65-17-15-60(2,3)19-27(65)26-9-10-34-62(6)13-12-35(61(4,5)33(62)11-14-64(34,8)63(26,7)16-18-65)92-58-52(95-56-47(81)42(76)38(72)30(21-67)89-56)50(28(69)23-85-58)93-55-46(80)41(75)37(71)29(20-66)88-55/h9,25,27-58,66-83H,10-24H2,1-8H3/t25-,27+,28+,29-,30+,31-,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45+,46-,47+,48-,49-,50+,51-,52-,53-,54-,55+,56-,57+,58+,62+,63-,64-,65+/m1/s1
InChIKey WKFFFKKWDNJSNL-NXCMTGJWSA-N
Literature Reference Author H.GAO,Z.WANG
Literature Reference Citation PHYTOCHEM.,67,2697(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.09.003
Molecular Weight 1383.538 g/mol
Sample ID 67205
Solvent C5D5N