![(3AR,4R,5R,6S,6AS)-6-[(BENZYLOXY)-METHYL]-2-(DIMETHYLAMIO)-3A,5,6,6A-TETRAHYDRO-4-HYDROXY-4H-CYCLOPENTOXAZOL-5-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO)-3-O-BENZYL-4,6-](/api/spectrum/BrVt67VB28t/structure.png?h=300&w=458 "(3AR,4R,5R,6S,6AS)-6-[(BENZYLOXY)-METHYL]-2-(DIMETHYLAMIO)-3A,5,6,6A-TETRAHYDRO-4-HYDROXY-4H-CYCLOPENTOXAZOL-5-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO)-3-O-BENZYL-4,6-")
| SpectraBase Compound ID | Eb1tEzFk6fI |
|---|---|
| InChI | InChI=1S/C60H70N4O14/c1-37(65)61-48-55(70-32-41-24-14-7-15-25-41)53(77-59-49(62-38(2)66)56(71-33-42-26-16-8-17-27-42)54-46(74-59)36-72-57(76-54)43-28-18-9-19-29-43)45(35-69-31-40-22-12-6-13-23-40)73-58(48)75-52-44(34-68-30-39-20-10-5-11-21-39)51-47(50(52)67)63-60(78-51)64(3)4/h5-29,44-59,67H,30-36H2,1-4H3,(H,61,65)(H,62,66)/t44-,45+,46-,47+,48+,49-,50+,51-,52+,53+,54-,55-,56+,57-,58-,59+/m0/s1 |
| InChIKey | MMRVODJLYZWJCF-KABVQMGZSA-N |
| Mol Weight | 1071.2 g/mol |
| Molecular Formula | C60H70N4O14 |
| Exact Mass | 1070.488853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BrVt67VB28t |
|---|---|
| Name | (3AR,4R,5R,6S,6AS)-6-[(BENZYLOXY)-METHYL]-2-(DIMETHYLAMIO)-3A,5,6,6A-TETRAHYDRO-4-HYDROXY-4H-CYCLOPENTOXAZOL-5-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO)-3-O-BENZYL-4,6- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H70N4O14 |
| InChI | InChI=1S/C60H70N4O14/c1-37(65)61-48-55(70-32-41-24-14-7-15-25-41)53(77-59-49(62-38(2)66)56(71-33-42-26-16-8-17-27-42)54-46(74-59)36-72-57(76-54)43-28-18-9-19-29-43)45(35-69-31-40-22-12-6-13-23-40)73-58(48)75-52-44(34-68-30-39-20-10-5-11-21-39)51-47(50(52)67)63-60(78-51)64(3)4/h5-29,44-59,67H,30-36H2,1-4H3,(H,61,65)(H,62,66)/t44-,45+,46-,47+,48+,49-,50+,51-,52+,53+,54-,55-,56+,57-,58-,59+/m0/s1 |
| InChIKey | MMRVODJLYZWJCF-KABVQMGZSA-N |
| Literature Reference Author | J.L.MALOISEL,A.VASELLA,B.M.TROST,D.L.VANVRANKEN |
| Literature Reference Citation | HELV.CHIM.ACTA,75,1515(1992) |
| Literature Reference DOI | 10.1002/hlca.19920750506 |
| Molecular Weight | 1071.234 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS8684 |