| SpectraBase Compound ID | AxqsV6iymEz |
|---|---|
| InChI | InChI=1S/C44H38O23/c45-11-23-31(48)35(52)37(54)43(66-23)64-21-5-1-3-15-25(17-7-13(39(56)57)9-19(46)27(17)33(50)29(15)21)26-16-4-2-6-22(30(16)34(51)28-18(26)8-14(40(58)59)10-20(28)47)65-44-38(55)36(53)32(49)24(67-44)12-63-42(62)41(60)61/h1-10,23-26,31-32,35-38,43-49,52-55H,11-12H2,(H,56,57)(H,58,59)(H,60,61)/t23-,24-,25?,26?,31-,32-,35+,36+,37-,38-,43-,44-/m1/s1 |
| InChIKey | PHEIITIDIABQFL-COJYGHKSSA-N |
| Mol Weight | 934.8 g/mol |
| Molecular Formula | C44H38O23 |
| Exact Mass | 934.180387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9bdLKhMkiq |
|---|---|
| Name | SENNOSIDE-E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H38O23 |
| InChI | InChI=1S/C44H38O23/c45-11-23-31(48)35(52)37(54)43(66-23)64-21-5-1-3-15-25(17-7-13(39(56)57)9-19(46)27(17)33(50)29(15)21)26-16-4-2-6-22(30(16)34(51)28-18(26)8-14(40(58)59)10-20(28)47)65-44-38(55)36(53)32(49)24(67-44)12-63-42(62)41(60)61/h1-10,23-26,31-32,35-38,43-49,52-55H,11-12H2,(H,56,57)(H,58,59)(H,60,61)/t23-,24-,25?,26?,31-,32-,35+,36+,37-,38-,43-,44-/m1/s1 |
| InChIKey | PHEIITIDIABQFL-COJYGHKSSA-N |
| Literature Reference Author | K.YAMASAKI,R.KASAI,Y.MASAKI,M.OKIHARA,O.TANAKA,H.OSHIO,S.TAK AGI,M.YAMAKI,K.MASUD |
| Literature Reference Citation | TETRAH.LETT.,18,1231(1977) |
| Literature Reference DOI | 10.1016/S0040-4039(01)92983-1 |
| Molecular Weight | 934.772 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS11371 |