| SpectraBase Compound ID | 5ZPodbUETJJ |
|---|---|
| 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/i48+1,49+1 |
| InChIKey | YOUXQVRIWHZWQN-RHYYFNIHSA-N |
| Mol Weight | 1131.7 g/mol |
| Molecular Formula | C5313C2H69ClN10O14 |
| Exact Mass | 1130.475034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FO4qrTnpiKq |
|---|---|
| Name | (13)C-LABELED-HORMAOMYCIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H68ClN10O14 |
| 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/i48+1,49+1 |
| InChIKey | YOUXQVRIWHZWQN-RHYYFNIHSA-N |
| Literature Reference Author | M.BRANDL,S.I.KOZHUSHKOV,B.D.ZLATOPOLSKIY,P.ALVERMANN,B.GEERS ,A.ZEECK,A.D.MEIJERE |
| Literature Reference Citation | EUR.J.ORG.CHEM.,123(2005) |
| Molecular Weight | 1128.657 g/mol |
| Sample ID | 42243 |
| Solvent | CDCl3 |