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SpectraBase Compound ID | IYNSRgKzO8G |
---|---|
InChI | InChI=1S/C44H50O23/c1-18-37(59-21(4)47)39(61-23(6)49)41(63-25(8)51)43(56-18)55-17-35-38(60-22(5)48)40(62-24(7)50)42(64-26(9)52)44(67-35)65-28-14-33(58-20(3)46)36-29(53)16-31(66-34(36)15-28)27-11-12-30(54-10)32(13-27)57-19(2)45/h11-15,18,31,35,37-44H,16-17H2,1-10H3/t18-,31+,35+,37-,38+,39+,40-,41+,42+,43+,44+/m1/s1 |
InChIKey | KXSONVOSSREWPV-METVOMDESA-N |
Mol Weight | 946.9 g/mol |
Molecular Formula | C44H50O23 |
Exact Mass | 946.274288 g/mol |
SpectraBase Spectrum ID | 48MpWGF8aDo |
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Name | OCTAACETYL-HESPERIDIN |
Compound Number | 4A |
Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C44H50O23 |
InChI | InChI=1S/C44H50O23/c1-18-37(59-21(4)47)39(61-23(6)49)41(63-25(8)51)43(56-18)55-17-35-38(60-22(5)48)40(62-24(7)50)42(64-26(9)52)44(67-35)65-28-14-33(58-20(3)46)36-29(53)16-31(66-34(36)15-28)27-11-12-30(54-10)32(13-27)57-19(2)45/h11-15,18,31,35,37-44H,16-17H2,1-10H3/t18-,31+,35+,37-,38+,39+,40-,41+,42+,43+,44+/m1/s1 |
InChIKey | KXSONVOSSREWPV-METVOMDESA-N |
Literature Reference Author | M.G.D.CARVALHO,P.M.D.COSTA,H.D.S.ABREU |
Literature Reference Citation | J.BRAZ.CHEM.SOC.,10,163(1999) |
Literature Reference DOI | 10.1590/s0103-50531999000200015 |
Molecular Weight | 946.867 g/mol |
Solvent | CDCl3 |
Source File Reference | UWMS5552 |