| SpectraBase Compound ID | 36fVP34TMzR |
|---|---|
| InChI | InChI=1S/C54H69ClN10O14/c1-7-16-33-25-41-54(73)79-32(6)46(61-47(66)37(21-15-24-63(74)75)56-49(68)39-22-23-42(55)64(39)76)52(71)60-44(30(4)34-17-11-9-12-18-34)50(69)57-38(26-36-27-40(36)65(77)78)48(67)59-45(31(5)35-19-13-10-14-20-35)51(70)58-43(29(3)8-2)53(72)62(41)28-33/h7,9-14,16-20,22-23,29-33,36-38,40-41,43-46,76H,8,15,21,24-28H2,1-6H3,(H,56,68)(H,57,69)(H,58,70)(H,59,67)(H,60,71)(H,61,66)/b16-7-/t29-,30+,31+,32-,33+,36-,37+,38-,40-,41+,43+,44+,45+,46-/m1/s1 |
| InChIKey | MYCPYLUAZUNNFX-CGYNNRPJSA-N |
| Mol Weight | 1117.7 g/mol |
| Molecular Formula | C54H69ClN10O14 |
| Exact Mass | 1116.468325 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMTPYCCoExE |
|---|---|
| Name | MYCPYLUAZUNNFX-CGYNNRPJSA-N |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H68ClN10O14 |
| InChI | InChI=1S/C54H69ClN10O14/c1-7-16-33-25-41-54(73)79-32(6)46(61-47(66)37(21-15-24-63(74)75)56-49(68)39-22-23-42(55)64(39)76)52(71)60-44(30(4)34-17-11-9-12-18-34)50(69)57-38(26-36-27-40(36)65(77)78)48(67)59-45(31(5)35-19-13-10-14-20-35)51(70)58-43(29(3)8-2)53(72)62(41)28-33/h7,9-14,16-20,22-23,29-33,36-38,40-41,43-46,76H,8,15,21,24-28H2,1-6H3,(H,56,68)(H,57,69)(H,58,70)(H,59,67)(H,60,71)(H,61,66)/b16-7-/t29-,30+,31+,32-,33+,36-,37+,38-,40-,41+,43+,44+,45+,46-/m1/s1 |
| InChIKey | MYCPYLUAZUNNFX-CGYNNRPJSA-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 | 1116.646 g/mol |
| Sample ID | 43525 |
| Solvent | CDCl3 |