| SpectraBase Compound ID | BGrYpFYgOY3 |
|---|---|
| InChI | InChI=1S/C53H69ClN10O14/c1-7-17-34-28-40-53(72)78-33(6)45(60-47(66)37(22-15-26-62(73)74)55-48(67)39-24-25-41(54)64(39)77)51(70)59-43(31(4)35-18-11-9-12-19-35)49(68)56-38(23-16-27-63(75)76)46(65)58-44(32(5)36-20-13-10-14-21-36)50(69)57-42(30(3)8-2)52(71)61(40)29-34/h7,9-14,17-21,24-25,30-34,37-38,40,42-45,77H,8,15-16,22-23,26-29H2,1-6H3,(H,55,67)(H,56,68)(H,57,69)(H,58,65)(H,59,70)(H,60,66)/b17-7-/t30-,31+,32+,33-,34+,37+,38-,40+,42+,43+,44+,45-/m1/s1 |
| InChIKey | FQIRXCYGRQNHHQ-HSAUHJMWSA-N |
| Mol Weight | 1105.6 g/mol |
| Molecular Formula | C53H69ClN10O14 |
| Exact Mass | 1104.468325 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | OUtZUuj02U |
|---|---|
| Name | FQIRXCYGRQNHHQ-HSAUHJMWSA-N |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H68ClN10O14 |
| InChI | InChI=1S/C53H69ClN10O14/c1-7-17-34-28-40-53(72)78-33(6)45(60-47(66)37(22-15-26-62(73)74)55-48(67)39-24-25-41(54)64(39)77)51(70)59-43(31(4)35-18-11-9-12-19-35)49(68)56-38(23-16-27-63(75)76)46(65)58-44(32(5)36-20-13-10-14-21-36)50(69)57-42(30(3)8-2)52(71)61(40)29-34/h7,9-14,17-21,24-25,30-34,37-38,40,42-45,77H,8,15-16,22-23,26-29H2,1-6H3,(H,55,67)(H,56,68)(H,57,69)(H,58,65)(H,59,70)(H,60,66)/b17-7-/t30-,31+,32+,33-,34+,37+,38-,40+,42+,43+,44+,45-/m1/s1 |
| InChIKey | FQIRXCYGRQNHHQ-HSAUHJMWSA-N |
| Literature Reference Author | B.D.ZLATOPOLSKIY,M.RADZOM,A.ZEECK,A.D.MEIJERE |
| Literature Reference Citation | EUR.J.ORG.CHEM.,1525(2006) |
| Molecular Weight | 1104.635 g/mol |
| Sample ID | 43523 |
| Solvent | CDCl3 |