| SpectraBase Compound ID | CFWYdVGbvdH |
|---|---|
| InChI | InChI=1S/C42H46O21/c1-18-35(56-20(3)44)37(58-22(5)46)39(60-24(7)48)41(54-18)53-17-32-36(57-21(4)45)38(59-23(6)47)40(61-25(8)49)42(63-32)62-28-14-30-33(31(15-28)55-19(2)43)34(50)29(16-52-30)26-10-12-27(51-9)13-11-26/h10-16,18,32,35-42H,17H2,1-9H3/t18-,32-,35-,36-,37+,38+,39+,40-,41+,42-/m0/s1 |
| InChIKey | BIPSTWBTHKYMLZ-AVTMTOEGSA-N |
| Mol Weight | 886.8 g/mol |
| Molecular Formula | C42H46O21 |
| Exact Mass | 886.253158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Rfn0I3jC8D |
|---|---|
| Name | HEPTA-ACETYL-BIOCHANIN-A-7-O-RUTINOSIDE |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O21 |
| InChI | InChI=1S/C42H46O21/c1-18-35(56-20(3)44)37(58-22(5)46)39(60-24(7)48)41(54-18)53-17-32-36(57-21(4)45)38(59-23(6)47)40(61-25(8)49)42(63-32)62-28-14-30-33(31(15-28)55-19(2)43)34(50)29(16-52-30)26-10-12-27(51-9)13-11-26/h10-16,18,32,35-42H,17H2,1-9H3/t18-,32-,35-,36-,37+,38+,39+,40-,41+,42-/m0/s1 |
| InChIKey | BIPSTWBTHKYMLZ-AVTMTOEGSA-N |
| Literature Reference Author | V.C.D.SILVA,M.G.D.CARVALHO,S.L.D.C.E.SILVA |
| Literature Reference Citation | REV.LATINOAMER.QUIM.,35,13(2007) |
| Molecular Weight | 886.815 g/mol |
| Sample ID | 31410 |
| Solvent | CDCl3 |