| SpectraBase Compound ID | 45g5e201VGA |
|---|---|
| InChI | InChI=1S/C57H65F17N4O26/c1-25(80)92-20-35-40(97-27(3)82)42(99-29(5)84)44(101-31(7)86)46(103-35)94-22-49(78-39(90)18-77-38(89)14-13-37(88)76-17-33-9-11-34(19-79)12-10-33,23-95-47-45(102-32(8)87)43(100-30(6)85)41(98-28(4)83)36(104-47)21-93-26(2)81)24-96-48(91)75-16-15-50(58,59)51(60,61)52(62,63)53(64,65)54(66,67)55(68,69)56(70,71)57(72,73)74/h9-12,19,35-36,40-47H,13-18,20-24H2,1-8H3,(H,75,91)(H,76,88)(H,77,89)(H,78,90)/t35-,36-,40+,41+,42+,43+,44-,45-,46-,47-/m1/s1 |
| InChIKey | MMUTXHDCXNKYCY-AHSIOPTFSA-N |
| Mol Weight | 1545.1 g/mol |
| Molecular Formula | C57H65F17N4O26 |
| Exact Mass | 1544.361557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9cGaQBPm28 |
|---|---|
| Name | MMUTXHDCXNKYCY-AHSIOPTFSA-N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H65F17N4O26 |
| InChI | InChI=1S/C57H65F17N4O26/c1-25(80)92-20-35-40(97-27(3)82)42(99-29(5)84)44(101-31(7)86)46(103-35)94-22-49(78-39(90)18-77-38(89)14-13-37(88)76-17-33-9-11-34(19-79)12-10-33,23-95-47-45(102-32(8)87)43(100-30(6)85)41(98-28(4)83)36(104-47)21-93-26(2)81)24-96-48(91)75-16-15-50(58,59)51(60,61)52(62,63)53(64,65)54(66,67)55(68,69)56(70,71)57(72,73)74/h9-12,19,35-36,40-47H,13-18,20-24H2,1-8H3,(H,75,91)(H,76,88)(H,77,89)(H,78,90)/t35-,36-,40+,41+,42+,43+,44-,45-,46-,47-/m1/s1 |
| InChIKey | MMUTXHDCXNKYCY-AHSIOPTFSA-N |
| Literature Reference Author | O.OUARI,A.POLIDORI,B.PUCCI,P.TORDO,F.CHALIER |
| Literature Reference Citation | J.ORG.CHEM.,64,3554(1999) |
| Literature Reference DOI | 10.1021/jo982343+ |
| Molecular Weight | 1545.127 g/mol |
| Sample ID | 59233 |
| Solvent | CDCl3 |