| SpectraBase Compound ID | 9DSDYsnKrcc |
|---|---|
| InChI | InChI=1S/C52H96N2O17/c1-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-39(58)49(65)54-37(38(57)29-26-23-20-18-15-16-19-22-25-28-35(2)3)33-68-50-47(64)46(63)45(62)42(70-50)34-69-52(51(66)67)31-40(59)43(53-36(4)56)48(71-52)44(61)41(60)32-55/h26,29,35,37-48,50,55,57-64H,5-25,27-28,30-34H2,1-4H3,(H,53,56)(H,54,65)(H,66,67)/b29-26+/t37-,38+,39+,40-,41+,42+,43+,44+,45+,46-,47+,48+,50+,52+/m0/s1 |
| InChIKey | LLGGTLTZPRPGLU-PORSVEMXSA-N |
| Mol Weight | 1021.3 g/mol |
| Molecular Formula | C52H96N2O17 |
| Exact Mass | 1020.6709 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ALi6fAV39j5 |
|---|---|
| Name | SCG-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H96N2O17 |
| InChI | InChI=1S/C52H96N2O17/c1-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-39(58)49(65)54-37(38(57)29-26-23-20-18-15-16-19-22-25-28-35(2)3)33-68-50-47(64)46(63)45(62)42(70-50)34-69-52(51(66)67)31-40(59)43(53-36(4)56)48(71-52)44(61)41(60)32-55/h26,29,35,37-48,50,55,57-64H,5-25,27-28,30-34H2,1-4H3,(H,53,56)(H,54,65)(H,66,67)/b29-26+/t37-,38+,39+,40-,41+,42+,43+,44+,45+,46-,47+,48+,50+,52+/m0/s1 |
| InChIKey | LLGGTLTZPRPGLU-PORSVEMXSA-N |
| Literature Reference Author | K.YAMADA,A.HAMADA,F.KISA,T.MIYAMOTO,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,46(2003) |
| Literature Reference DOI | 10.1248/cpb.51.46 |
| Molecular Weight | 1021.337 g/mol |
| Solvent | C5D5N:D2O=49:1 |
| Source File Reference | UWMS21031 |