| SpectraBase Compound ID | 1snyi9WM72V |
|---|---|
| InChI | InChI=1S/C56H106N2O18/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-33-45(64)57-40(48(66)41(61)32-29-26-23-21-22-25-28-31-39(3)5-2)37-73-54-52(70)51(69)50(68)44(75-54)38-74-56(55(71)72)34-42(62)47(58-46(65)36-60)53(76-56)49(67)43(63)35-59/h39-44,47-54,59-63,66-70H,4-38H2,1-3H3,(H,57,64)(H,58,65)(H,71,72)/t39?,40-,41-,42-,43?,44+,47+,48+,49?,50+,51-,52+,53+,54+,56+/m0/s1 |
| InChIKey | QXVCNGOCEBQGBS-YCMHVTTBSA-N |
| Mol Weight | 1095.5 g/mol |
| Molecular Formula | C56H106N2O18 |
| Exact Mass | 1094.744065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jhFQLb05rw |
|---|---|
| Name | SJG-1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H106N2O18 |
| InChI | InChI=1S/C56H106N2O18/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-33-45(64)57-40(48(66)41(61)32-29-26-23-21-22-25-28-31-39(3)5-2)37-73-54-52(70)51(69)50(68)44(75-54)38-74-56(55(71)72)34-42(62)47(58-46(65)36-60)53(76-56)49(67)43(63)35-59/h39-44,47-54,59-63,66-70H,4-38H2,1-3H3,(H,57,64)(H,58,65)(H,71,72)/t39?,40-,41-,42-,43?,44+,47+,48+,49?,50+,51-,52+,53+,54+,56+/m0/s1 |
| InChIKey | QXVCNGOCEBQGBS-YCMHVTTBSA-N |
| Literature Reference Author | F.KISA,K.YAMADA,T.MIYAMOTO,M.INAGAKI,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,982(2006) |
| Literature Reference DOI | 10.1248/cpb.54.982 |
| Molecular Weight | 1095.460 g/mol |
| Sample ID | 37180 |
| Solvent | C5D5N:D2O=9:1 |