![(1S,5S)-8-EXO-BENZYLOXYMETHYL-3-DIMETHYLAMINO-7-ENDO-HYDROXY-2-OXA-4-AZABICYCLO-[3.3.0]-OCT-3-EN-6-ENDO-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO-3-O-BENZYL](/api/spectrum/H3lPoMZCAdg/structure.png?h=300&w=458 "(1S,5S)-8-EXO-BENZYLOXYMETHYL-3-DIMETHYLAMINO-7-ENDO-HYDROXY-2-OXA-4-AZABICYCLO-[3.3.0]-OCT-3-EN-6-ENDO-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO-3-O-BENZYL")
| SpectraBase Compound ID | CRwuE1785xR |
|---|---|
| InChI | InChI=1S/C60H70N4O14/c1-37(65)61-48-56(71-33-42-26-16-8-17-27-42)53-46(36-72-57(75-53)43-28-18-9-19-29-43)74-58(48)76-52-45(35-69-31-40-22-12-6-13-23-40)73-59(49(62-38(2)66)55(52)70-32-41-24-14-7-15-25-41)77-54-47-51(78-60(63-47)64(3)4)44(50(54)67)34-68-30-39-20-10-5-11-21-39/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+/m1/s1 |
| InChIKey | NDWSHLMCERFJIP-FJNJQKOISA-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 | H3lPoMZCAdg |
|---|---|
| Name | (1S,5S)-8-EXO-BENZYLOXYMETHYL-3-DIMETHYLAMINO-7-ENDO-HYDROXY-2-OXA-4-AZABICYCLO-[3.3.0]-OCT-3-EN-6-ENDO-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO-3-O-BENZYL |
| Compound Number | 58 |
| 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)61-48-56(71-33-42-26-16-8-17-27-42)53-46(36-72-57(75-53)43-28-18-9-19-29-43)74-58(48)76-52-45(35-69-31-40-22-12-6-13-23-40)73-59(49(62-38(2)66)55(52)70-32-41-24-14-7-15-25-41)77-54-47-51(78-60(63-47)64(3)4)44(50(54)67)34-68-30-39-20-10-5-11-21-39/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+/m1/s1 |
| InChIKey | NDWSHLMCERFJIP-FJNJQKOISA-N |
| Literature Reference Author | R.BLATTNER,R.H.FURNEAUX,T.KEMMITT,P.C.TYLER,R.J.FERRIER,A.K. TIDEN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3411(1994) |
| Literature Reference DOI | 10.1039/p19940003411 |
| Molecular Weight | 1071.234 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU4431 |