| SpectraBase Compound ID | 1z5r0iSyJTa |
|---|---|
| InChI | InChI=1S/C64H116N2O23/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-32-35-46(70)60(80)65-44(45(69)34-31-28-25-23-22-24-27-30-33-41(3)7-2)38-83-62-56(78)54(76)53(75)49(88-62)39-85-64(63(81)82)36-47(71)51(59(89-64)52(74)48(72)37-67)66-50(73)40-84-61-57(79)55(77)58(42(4)86-61)87-43(5)68/h31,34,41-42,44-49,51-59,61-62,67,69-72,74-79H,6-30,32-33,35-40H2,1-5H3,(H,65,80)(H,66,73)(H,81,82)/b34-31+/t41?,42-,44-,45+,46-,47-,48?,49+,51+,52?,53+,54-,55-,56+,57-,58+,59+,61+,62+,64+/m0/s1 |
| InChIKey | BFEIANJMWNHSTQ-ZCLFZRJNSA-N |
| Mol Weight | 1281.6 g/mol |
| Molecular Formula | C64H116N2O23 |
| Exact Mass | 1280.796888 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FASoFyMh7KH |
|---|---|
| Name | BFEIANJMWNHSTQ-ZCLFZRJNSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H116N2O23 |
| InChI | InChI=1S/C64H116N2O23/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-32-35-46(70)60(80)65-44(45(69)34-31-28-25-23-22-24-27-30-33-41(3)7-2)38-83-62-56(78)54(76)53(75)49(88-62)39-85-64(63(81)82)36-47(71)51(59(89-64)52(74)48(72)37-67)66-50(73)40-84-61-57(79)55(77)58(42(4)86-61)87-43(5)68/h31,34,41-42,44-49,51-59,61-62,67,69-72,74-79H,6-30,32-33,35-40H2,1-5H3,(H,65,80)(H,66,73)(H,81,82)/b34-31+/t41?,42-,44-,45+,46-,47-,48?,49+,51+,52?,53+,54-,55-,56+,57-,58+,59+,61+,62+,64+/m0/s1 |
| InChIKey | BFEIANJMWNHSTQ-ZCLFZRJNSA-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 | 1281.625 g/mol |
| Sample ID | 37182 |
| Solvent | C5D5N:D2O=95:5 |