![1,3,5-TRIS-[(2R,3S,4R,5S)-N-BENZYLOXYCARBONYL-2-CARBONYLAMINO-METHYL-3,4-O-ISOPROPYLIDENE-5-METHYLPYRROLIDINE-3,4-DIOL]-BENZENE](/api/spectrum/3eHS9Moivnf/structure.png?h=300&w=458 "1,3,5-TRIS-[(2R,3S,4R,5S)-N-BENZYLOXYCARBONYL-2-CARBONYLAMINO-METHYL-3,4-O-ISOPROPYLIDENE-5-METHYLPYRROLIDINE-3,4-DIOL]-BENZENE")
| SpectraBase Compound ID | IEVtkDQ9wFe |
|---|---|
| InChI | InChI=1S/C60H72N6O15/c1-34-46-49(79-58(4,5)76-46)43(64(34)55(70)73-31-37-19-13-10-14-20-37)52(67)61-28-40-25-41(29-62-53(68)44-50-47(77-59(6,7)80-50)35(2)65(44)56(71)74-32-38-21-15-11-16-22-38)27-42(26-40)30-63-54(69)45-51-48(78-60(8,9)81-51)36(3)66(45)57(72)75-33-39-23-17-12-18-24-39/h10-27,34-36,43-51H,28-33H2,1-9H3,(H,61,67)(H,62,68)(H,63,69)/t34-,35-,36+,43+,44+,45-,46+,47+,48-,49-,50-,51+/m1/s1 |
| InChIKey | NMZIZUTURWVTDY-IFTODVNBSA-N |
| Mol Weight | 1117.3 g/mol |
| Molecular Formula | C60H72N6O15 |
| Exact Mass | 1116.505566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eHS9Moivnf |
|---|---|
| Name | 1,3,5-TRIS-[(2R,3S,4R,5S)-N-BENZYLOXYCARBONYL-2-CARBONYLAMINO-METHYL-3,4-O-ISOPROPYLIDENE-5-METHYLPYRROLIDINE-3,4-DIOL]-BENZENE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H72N6O15 |
| InChI | InChI=1S/C60H72N6O15/c1-34-46-49(79-58(4,5)76-46)43(64(34)55(70)73-31-37-19-13-10-14-20-37)52(67)61-28-40-25-41(29-62-53(68)44-50-47(77-59(6,7)80-50)35(2)65(44)56(71)74-32-38-21-15-11-16-22-38)27-42(26-40)30-63-54(69)45-51-48(78-60(8,9)81-51)36(3)66(45)57(72)75-33-39-23-17-12-18-24-39/h10-27,34-36,43-51H,28-33H2,1-9H3,(H,61,67)(H,62,68)(H,63,69)/t34-,35-,36+,43+,44+,45-,46+,47+,48-,49-,50-,51+/m1/s1 |
| InChIKey | NMZIZUTURWVTDY-IFTODVNBSA-N |
| Literature Reference Author | E.MORENO-CLAVIJO,A.T.CARMONA,A.J.MORENO-VARGAS,L.MOLINA,D.W. WRIGHT,G.J.DAVIES |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,7328(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300878 |
| Molecular Weight | 1117.263 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT20555 |