| SpectraBase Compound ID | 5BNl3UwMIy0 |
|---|---|
| InChI | InChI=1S/C62H114N2O22/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-44(67)58(78)63-42(43(66)33-30-27-24-22-21-23-26-29-32-40(3)6-2)37-81-60-56(77)54(75)52(73)47(85-60)38-83-62(61(79)80)35-45(68)49(57(86-62)51(72)46(69)36-65)64-48(70)39-82-59-55(76)53(74)50(71)41(4)84-59/h30,33,40-47,49-57,59-60,65-69,71-77H,5-29,31-32,34-39H2,1-4H3,(H,63,78)(H,64,70)(H,79,80)/b33-30+/t40?,41-,42-,43+,44+,45-,46+,47+,49+,50+,51+,52+,53+,54-,55-,56+,57+,59+,60+,62+/m0/s1 |
| InChIKey | AGHHJDKAQHQBHU-DMMFMUETSA-N |
| Mol Weight | 1239.6 g/mol |
| Molecular Formula | C62H114N2O22 |
| Exact Mass | 1238.786323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JVv8LXmMKq |
|---|---|
| Name | SCG-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H114N2O22 |
| InChI | InChI=1S/C62H114N2O22/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-44(67)58(78)63-42(43(66)33-30-27-24-22-21-23-26-29-32-40(3)6-2)37-81-60-56(77)54(75)52(73)47(85-60)38-83-62(61(79)80)35-45(68)49(57(86-62)51(72)46(69)36-65)64-48(70)39-82-59-55(76)53(74)50(71)41(4)84-59/h30,33,40-47,49-57,59-60,65-69,71-77H,5-29,31-32,34-39H2,1-4H3,(H,63,78)(H,64,70)(H,79,80)/b33-30+/t40?,41-,42-,43+,44+,45-,46+,47+,49+,50+,51+,52+,53+,54-,55-,56+,57+,59+,60+,62+/m0/s1 |
| InChIKey | AGHHJDKAQHQBHU-DMMFMUETSA-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 | 1239.587 g/mol |
| Solvent | C5D5N:D2O=49:1 |
| Source File Reference | UWMS21033 |