| SpectraBase Compound ID | Iu3DJ1vTXIC |
|---|---|
| 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-NCHDYHHTSA-N |
| Mol Weight | 946.9 g/mol |
| Molecular Formula | C44H50O23 |
| Exact Mass | 946.274288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wD9ZaadWwV |
|---|---|
| Name | KXSONVOSSREWPV-NCHDYHHTSA-N |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 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-NCHDYHHTSA-N |
| Literature Reference Author | D.T.FERREIRA,P.S.M.ALVARES,P.J.HOUGHTON,R.BRAZ-FILHO |
| Literature Reference Citation | QUIM.NOVA,23,42(2000) |
| Literature Reference DOI | 10.1590/s0100-40422000000100010 |
| Molecular Weight | 946.867 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT12420 |