| SpectraBase Compound ID | 2yeVHZc7xF9 |
|---|---|
| InChI | InChI=1S/C54H88N4O39/c59-8-17-40-27(70)34(77)50(86-17)94-42-19(10-61)88-52(36(79)29(42)72)96-44-21(12-63)90-54(38(81)31(44)74)97-45-22(13-64)89-53(37(80)30(45)73)95-43-20(11-62)87-51(35(78)28(43)71)93-41-18(9-60)85-49(33(76)26(41)69)91-39-16(84-48(92-40)32(75)25(39)68)7-55-5-6-56-23(65)3-1-14-46(82)58-15(47(83)57-14)2-4-24(66)67/h14-22,25-45,48-55,59-64,68-81H,1-13H2,(H,56,65)(H,57,83)(H,58,82)(H,66,67)/t14-,15-,16+,17+,18-,19-,20-,21-,22-,25+,26-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,48+,49-,50+,51-,52-,53-,54-/m1/s1 |
| InChIKey | KJEKGAAIBMZNGA-ADXLXQJXSA-N |
| Mol Weight | 1417.3 g/mol |
| Molecular Formula | C54H88N4O39 |
| Exact Mass | 1416.502569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYRvcCaJAT2 |
|---|---|
| Name | beta-C-DEN-C(GLU-GLU);3 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C54H88N4O39/c59-8-17-40-27(70)34(77)50(86-17)94-42-19(10-61)88-52(36(79)29(42)72)96-44-21(12-63)90-54(38(81)31(44)74)97-45-22(13-64)89-53(37(80)30(45)73)95-43-20(11-62)87-51(35(78)28(43)71)93-41-18(9-60)85-49(33(76)26(41)69)91-39-16(84-48(92-40)32(75)25(39)68)7-55-5-6-56-23(65)3-1-14-46(82)58-15(47(83)57-14)2-4-24(66)67/h14-22,25-45,48-55,59-64,68-81H,1-13H2,(H,56,65)(H,57,83)(H,58,82)(H,66,67)/t14-,15-,16+,17+,18-,19-,20-,21-,22-,25+,26-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,48+,49-,50+,51-,52-,53-,54-/m1/s1 |
| InChIKey | KJEKGAAIBMZNGA-ADXLXQJXSA-N |
| Literature Reference | G.IMPELLIZZERI,G.PAPPALARDO,E.RIZZARELLI,C.TRINGALI J.CHEM.SOC.PERKIN-2,1435(1996) |
| Solvent | Deuterium oxide |
| Technique | SELECTIVE DECOUPLING; APT, DEPT, INEPT; C/H SHIFT CORRELATION |