| SpectraBase Compound ID | 3g3r12G8QS9 |
|---|---|
| InChI | InChI=1S/C55H71ClN10O14/c1-7-17-34-26-42-55(74)80-33(6)47(62-48(67)38(22-15-16-25-64(75)76)57-50(69)40-23-24-43(56)65(40)77)53(72)61-45(31(4)35-18-11-9-12-19-35)51(70)58-39(27-37-28-41(37)66(78)79)49(68)60-46(32(5)36-20-13-10-14-21-36)52(71)59-44(30(3)8-2)54(73)63(42)29-34/h7,9-14,17-21,23-24,30-34,37-39,41-42,44-47,77H,8,15-16,22,25-29H2,1-6H3,(H,57,69)(H,58,70)(H,59,71)(H,60,68)(H,61,72)(H,62,67)/b17-7-/t30-,31+,32+,33-,34+,37-,38+,39-,41-,42+,44+,45+,46+,47-/m1/s1 |
| InChIKey | FVNVGRVKHVRFJD-HSLOYQJYSA-N |
| Mol Weight | 1131.7 g/mol |
| Molecular Formula | C55H71ClN10O14 |
| Exact Mass | 1130.483975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqM5ok5nDgM |
|---|---|
| Name | FVNVGRVKHVRFJD-HSLOYQJYSA-N |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H70ClN10O14 |
| InChI | InChI=1S/C55H71ClN10O14/c1-7-17-34-26-42-55(74)80-33(6)47(62-48(67)38(22-15-16-25-64(75)76)57-50(69)40-23-24-43(56)65(40)77)53(72)61-45(31(4)35-18-11-9-12-19-35)51(70)58-39(27-37-28-41(37)66(78)79)49(68)60-46(32(5)36-20-13-10-14-21-36)52(71)59-44(30(3)8-2)54(73)63(42)29-34/h7,9-14,17-21,23-24,30-34,37-39,41-42,44-47,77H,8,15-16,22,25-29H2,1-6H3,(H,57,69)(H,58,70)(H,59,71)(H,60,68)(H,61,72)(H,62,67)/b17-7-/t30-,31+,32+,33-,34+,37-,38+,39-,41-,42+,44+,45+,46+,47-/m1/s1 |
| InChIKey | FVNVGRVKHVRFJD-HSLOYQJYSA-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 | 1130.672 g/mol |
| Sample ID | 43527 |
| Solvent | CDCl3 |