| SpectraBase Compound ID | MxSOtIf9px |
|---|---|
| InChI | InChI=1S/C42H54O25/c1-13-24(46)28(50)31(53)40(59-13)67-38-34(56)39(60-14(2)35(38)61-15(3)44)58-12-22-26(48)30(52)33(55)42(65-22)66-37-27(49)23-19(62-36(37)16-5-7-17(45)8-6-16)9-18(57-4)10-20(23)63-41-32(54)29(51)25(47)21(11-43)64-41/h5-10,13-14,21-22,24-26,28-35,38-43,45-48,50-56H,11-12H2,1-4H3/t13-,14+,21-,22-,24-,25-,26+,28+,29+,30+,31+,32-,33-,34-,35+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | BMKUYNUDRUYBSB-AFZUNNBTSA-N |
| Mol Weight | 958.9 g/mol |
| Molecular Formula | C42H54O25 |
| Exact Mass | 958.295417 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CsieUsTgumK |
|---|---|
| Name | PATRIVILOSIDE-2;RHAMNOCITRIN-3-O-4'''-O-ACETYL-RHAMNINOSIDE-5-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54O25 |
| InChI | InChI=1S/C42H54O25/c1-13-24(46)28(50)31(53)40(59-13)67-38-34(56)39(60-14(2)35(38)61-15(3)44)58-12-22-26(48)30(52)33(55)42(65-22)66-37-27(49)23-19(62-36(37)16-5-7-17(45)8-6-16)9-18(57-4)10-20(23)63-41-32(54)29(51)25(47)21(11-43)64-41/h5-10,13-14,21-22,24-26,28-35,38-43,45-48,50-56H,11-12H2,1-4H3/t13-,14+,21-,22-,24-,25-,26+,28+,29+,30+,31+,32-,33-,34-,35+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | BMKUYNUDRUYBSB-AFZUNNBTSA-N |
| Literature Reference Author | J.Y.LEE,J.S.KIM,Y.S.KIM,S.S.KANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,61,971(2013) |
| Literature Reference DOI | 10.1248/cpb.c13-00306 |
| Molecular Weight | 958.876 g/mol |
| Source File Reference | UWIR4138 |