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HAMAMELITANNIN-2
SpectraBase Compound ID 5nh6vR2GiCJ
InChI InChI=1S/C38H38O23/c1-16(39)52-27-10-25(11-28(53-17(2)40)32(27)56-20(5)43)35(48)50-14-31-34(58-22(7)45)38(61-24(9)47,37(60-31)59-23(8)46)15-51-36(49)26-12-29(54-18(3)41)33(57-21(6)44)30(13-26)55-19(4)42/h10-13,31,34,37H,14-15H2,1-9H3/t31-,34-,37+,38-/m1/s1
InChIKey KXWUWMDLMCSXOX-FJYBLAALSA-N
Mol Weight 862.7 g/mol
Molecular Formula C38H38O23
Exact Mass 862.180387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3H4xBzmE3F9
Name HAMAMELITANNIN-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H38O23
InChI InChI=1S/C38H38O23/c1-16(39)52-27-10-25(11-28(53-17(2)40)32(27)56-20(5)43)35(48)50-14-31-34(58-22(7)45)38(61-24(9)47,37(60-31)59-23(8)46)15-51-36(49)26-12-29(54-18(3)41)33(57-21(6)44)30(13-26)55-19(4)42/h10-13,31,34,37H,14-15H2,1-9H3/t31-,34-,37+,38-/m1/s1
InChIKey KXWUWMDLMCSXOX-FJYBLAALSA-N
Literature Reference Author C.HABERLAND,H.KOLODZIEJ
Literature Reference Citation PLANTA.MED.,60,464(1994)
Literature Reference DOI 10.1055/s-2006-959533
Molecular Weight 862.706 g/mol
Solvent CDCl3
Source File Reference UIAP589