| SpectraBase Compound ID | FUIuhSJ6SCY |
|---|---|
| InChI | InChI=1S/C39H50O24/c1-11-21(42)26(47)30(51)36(57-11)55-9-18-23(44)28(49)32(53)38(61-18)59-15-7-16(41)20-17(8-15)60-34(13-3-5-14(40)6-4-13)35(25(20)46)63-39-33(54)29(50)24(45)19(62-39)10-56-37-31(52)27(48)22(43)12(2)58-37/h3-8,11-12,18-19,21-24,26-33,36-45,47-54H,9-10H2,1-2H3/t11-,12-,18+,19-,21-,22+,23+,24-,26+,27-,28-,29+,30+,31-,32+,33-,36+,37-,38+,39+/m1/s1 |
| InChIKey | ITLMMJYBBFFCGY-YMFDVEBNSA-N |
| Mol Weight | 902.8 g/mol |
| Molecular Formula | C39H50O24 |
| Exact Mass | 902.269202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JPxWEW1NYSb |
|---|---|
| Name | KAEMPHEROL-3-O-RUTINOSIDE-7-O-RUTINOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50O24 |
| InChI | InChI=1S/C39H50O24/c1-11-21(42)26(47)30(51)36(57-11)55-9-18-23(44)28(49)32(53)38(61-18)59-15-7-16(41)20-17(8-15)60-34(13-3-5-14(40)6-4-13)35(25(20)46)63-39-33(54)29(50)24(45)19(62-39)10-56-37-31(52)27(48)22(43)12(2)58-37/h3-8,11-12,18-19,21-24,26-33,36-45,47-54H,9-10H2,1-2H3/t11-,12-,18+,19-,21-,22+,23+,24-,26+,27-,28-,29+,30+,31-,32+,33-,36+,37-,38+,39+/m1/s1 |
| InChIKey | ITLMMJYBBFFCGY-YMFDVEBNSA-N |
| Literature Reference Author | L.O.A.MANGURO,S.O.WAGAI,P.LEMMEN |
| Literature Reference Citation | PHYTOCHEM.,67,830(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.01.005 |
| Molecular Weight | 902.812 g/mol |
| Sample ID | 41808 |
| Solvent | DMSO-D6 |