| SpectraBase Compound ID | LRqsvfpuvEl |
|---|---|
| InChI | InChI=1S/C53H100N2O18/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-42(61)54-37(45(63)38(58)29-26-23-20-17-15-16-19-22-25-28-36(2)3)34-70-51-49(67)48(66)47(65)41(72-51)35-71-53(52(68)69)31-39(59)44(55-43(62)33-57)50(73-53)46(64)40(60)32-56/h36-41,44-51,56-60,63-67H,4-35H2,1-3H3,(H,54,61)(H,55,62)(H,68,69)/t37-,38+,39-,40?,41+,44+,45-,46?,47+,48-,49+,50+,51+,53+/m0/s1 |
| InChIKey | PUSYSHZRFRVCQM-WXVLOTEVSA-N |
| Mol Weight | 1053.4 g/mol |
| Molecular Formula | C53H100N2O18 |
| Exact Mass | 1052.697114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ERgWXEABgC |
|---|---|
| Name | OSG-0;ISO-TYPE-OF-SIDE-CHAIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H100N2O18 |
| InChI | InChI=1S/C53H100N2O18/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-42(61)54-37(45(63)38(58)29-26-23-20-17-15-16-19-22-25-28-36(2)3)34-70-51-49(67)48(66)47(65)41(72-51)35-71-53(52(68)69)31-39(59)44(55-43(62)33-57)50(73-53)46(64)40(60)32-56/h36-41,44-51,56-60,63-67H,4-35H2,1-3H3,(H,54,61)(H,55,62)(H,68,69)/t37-,38+,39-,40?,41+,44+,45-,46?,47+,48-,49+,50+,51+,53+/m0/s1 |
| InChIKey | PUSYSHZRFRVCQM-WXVLOTEVSA-N |
| Literature Reference Author | M.INAGAKI,M.SHIBAI,R.ISOBE,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,1521(2001) |
| Literature Reference DOI | 10.1248/cpb.49.1521 |
| Molecular Weight | 1053.380 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN29048 |