| SpectraBase Compound ID | HN7FHCz4M89 |
|---|---|
| InChI | InChI=1S/C53H100N2O17/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-43(61)55-38(45(62)39(58)31-29-27-25-23-21-17-15-13-11-9-7-5-2)35-69-51-49(66)48(65)47(64)42(71-51)36-70-53(52(67)68)33-40(59)44(54-37(3)57)50(72-53)46(63)41(60)34-56/h38-42,44-51,56,58-60,62-66H,4-36H2,1-3H3,(H,54,57)(H,55,61)(H,67,68)/t38?,39?,40-,41-,42+,44+,45?,46+,47+,48-,49+,50+,51+,53+/m0/s1 |
| InChIKey | QVHXMGYNNBIZKW-CAPMJUOZSA-N |
| Mol Weight | 1037.4 g/mol |
| Molecular Formula | C53H100N2O17 |
| Exact Mass | 1036.7022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E71LApo3uMy |
|---|---|
| Name | QVHXMGYNNBIZKW-CAPMJUOZSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H100N2O17 |
| InChI | InChI=1S/C53H100N2O17/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-43(61)55-38(45(62)39(58)31-29-27-25-23-21-17-15-13-11-9-7-5-2)35-69-51-49(66)48(65)47(64)42(71-51)36-70-53(52(67)68)33-40(59)44(54-37(3)57)50(72-53)46(63)41(60)34-56/h38-42,44-51,56,58-60,62-66H,4-36H2,1-3H3,(H,54,57)(H,55,61)(H,67,68)/t38?,39?,40-,41-,42+,44+,45?,46+,47+,48-,49+,50+,51+,53+/m0/s1 |
| InChIKey | QVHXMGYNNBIZKW-CAPMJUOZSA-N |
| Literature Reference Author | K.YAMADA,K.TANABE,T.MIYAMOTO,T.KUSUMOTO,M.INAGAKI,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,734(2008) |
| Literature Reference DOI | 10.1248/cpb.56.734 |
| Molecular Weight | 1037.380 g/mol |
| Sample ID | 1737 |
| Solvent | C5D5N |