| SpectraBase Compound ID | JBCKsu99uzx |
|---|---|
| InChI | InChI=1S/C54H96N6O26/c1-2-3-4-5-6-7-8-9-10-11-36(61)55-18-27-81-52-49(78)46(75)43(72)33(84-52)30-58(21-12-37(62)56-19-28-82-53-50(79)47(76)44(73)34(85-53)31-59(23-14-39(64)65)24-15-40(66)67)22-13-38(63)57-20-29-83-54-51(80)48(77)45(74)35(86-54)32-60(25-16-41(68)69)26-17-42(70)71/h33-35,43-54,72-80H,2-32H2,1H3,(H,55,61)(H,56,62)(H,57,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t33-,34-,35+,43-,44-,45+,46+,47+,48-,49-,50-,51+,52-,53-,54+/m1/s1 |
| InChIKey | AOCWGNDVIABFBD-KOXNRHLVSA-N |
| Mol Weight | 1245.4 g/mol |
| Molecular Formula | C54H96N6O26 |
| Exact Mass | 1244.637427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9LdwUnvFbj |
|---|---|
| Name | AOCWGNDVIABFBD-KOXNRHLVSA-N |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H96N6O26 |
| InChI | InChI=1S/C54H96N6O26/c1-2-3-4-5-6-7-8-9-10-11-36(61)55-18-27-81-52-49(78)46(75)43(72)33(84-52)30-58(21-12-37(62)56-19-28-82-53-50(79)47(76)44(73)34(85-53)31-59(23-14-39(64)65)24-15-40(66)67)22-13-38(63)57-20-29-83-54-51(80)48(77)45(74)35(86-54)32-60(25-16-41(68)69)26-17-42(70)71/h33-35,43-54,72-80H,2-32H2,1H3,(H,55,61)(H,56,62)(H,57,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t33-,34-,35+,43-,44-,45+,46+,47+,48-,49-,50-,51+,52-,53-,54+/m1/s1 |
| InChIKey | AOCWGNDVIABFBD-KOXNRHLVSA-N |
| Literature Reference Author | M.DUBBER,A.PATEL,K.SADALAPURE,I.AUMUELLER,T.K.LINDHORST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,5357(2006) |
| Molecular Weight | 1245.381 g/mol |
| Sample ID | 44689 |
| Solvent | D2O |