| SpectraBase Compound ID | 2jxApREzwYy |
|---|---|
| InChI | InChI=1S/C51H56O22/c1-26-40(64-29(4)54)43(69-37(58)20-18-33-14-10-8-11-15-33)46(70-38(59)21-19-34-16-12-9-13-17-34)49(63-26)71-41-35-22-23-60-48(39(35)51(47(41)73-51)25-62-28(3)53)72-50-45(67-32(7)57)44(66-31(6)56)42(65-30(5)55)36(68-50)24-61-27(2)52/h8-23,26,35-36,39-50H,24-25H2,1-7H3/b20-18+,21-19+/t26-,35-,36+,39-,40-,41+,42+,43+,44-,45+,46+,47+,48+,49-,50-,51-/m1/s1 |
| InChIKey | SMWYIEHUBLXLOS-MALAQLEESA-N |
| Mol Weight | 1021.0 g/mol |
| Molecular Formula | C51H56O22 |
| Exact Mass | 1020.326323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gVUjJRjTpG |
|---|---|
| Name | 6-O-(2'',3''-DI-O-TRANS-CINNAMOYL-4''-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYL-CATALPOL-HEXAACETATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H56O22 |
| InChI | InChI=1S/C51H56O22/c1-26-40(64-29(4)54)43(69-37(58)20-18-33-14-10-8-11-15-33)46(70-38(59)21-19-34-16-12-9-13-17-34)49(63-26)71-41-35-22-23-60-48(39(35)51(47(41)73-51)25-62-28(3)53)72-50-45(67-32(7)57)44(66-31(6)56)42(65-30(5)55)36(68-50)24-61-27(2)52/h8-23,26,35-36,39-50H,24-25H2,1-7H3/b20-18+,21-19+/t26-,35-,36+,39-,40-,41+,42+,43+,44-,45+,46+,47+,48+,49-,50-,51-/m1/s1 |
| InChIKey | SMWYIEHUBLXLOS-MALAQLEESA-N |
| Literature Reference Author | S.P.S.BHANDARI,A.MISHRA,R.ROY,H.S.GARG |
| Literature Reference Citation | PHYTOCHEM.,31,689(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)90061-T |
| Molecular Weight | 1020.992 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU6184 |