| SpectraBase Compound ID | Acqprx6IMfa |
|---|---|
| InChI | InChI=1S/C55H69ClN10O14/c1-7-15-32-22-42-55(74)80-31(6)47(62-49(68)37(23-35-25-40(35)65(76)77)57-50(69)39-20-21-43(56)64(39)75)53(72)61-45(29(4)33-16-11-9-12-17-33)51(70)58-38(24-36-26-41(36)66(78)79)48(67)60-46(30(5)34-18-13-10-14-19-34)52(71)59-44(28(3)8-2)54(73)63(42)27-32/h7,9-21,28-32,35-38,40-42,44-47,75H,8,22-27H2,1-6H3,(H,57,69)(H,58,70)(H,59,71)(H,60,67)(H,61,72)(H,62,68)/b15-7-/t28-,29+,30+,31?,32+,35-,36-,37-,38-,40-,41-,42+,44+,45+,46+,47-/m1/s1/i23D2,24D2 |
| InChIKey | YOUXQVRIWHZWQN-IJSYTCHYSA-N |
| Mol Weight | 1133.7 g/mol |
| Molecular Formula | C55H652H4ClN10O14 |
| Exact Mass | 1132.493432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESRJG3qBIpg |
|---|---|
| Name | YOUXQVRIWHZWQN-IJSYTCHYSA-N |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H642H4ClN10O14 |
| InChI | InChI=1S/C55H69ClN10O14/c1-7-15-32-22-42-55(74)80-31(6)47(62-49(68)37(23-35-25-40(35)65(76)77)57-50(69)39-20-21-43(56)64(39)75)53(72)61-45(29(4)33-16-11-9-12-17-33)51(70)58-38(24-36-26-41(36)66(78)79)48(67)60-46(30(5)34-18-13-10-14-19-34)52(71)59-44(28(3)8-2)54(73)63(42)27-32/h7,9-21,28-32,35-38,40-42,44-47,75H,8,22-27H2,1-6H3,(H,57,69)(H,58,70)(H,59,71)(H,60,67)(H,61,72)(H,62,68)/b15-7-/t28-,29+,30+,31?,32+,35-,36-,37-,38-,40-,41-,42+,44+,45+,46+,47-/m1/s1/i23D2,24D2 |
| InChIKey | YOUXQVRIWHZWQN-IJSYTCHYSA-N |
| Literature Reference Author | S.I.KOZHUSHKOV,B.D.ZLATOPOLSKIY,M.BRANDL,P.ALVERMANN,M.RADZO M,B.GEER,A.D.MEIJERE |
| Literature Reference Citation | EUR.J.ORG.CHEM.,854(2005) |
| Literature Reference DOI | 10.1002/ejoc.200400608 |
| Molecular Weight | 1132.681 g/mol |
| Sample ID | 39056 |
| Solvent | CDCl3 |