| SpectraBase Spectrum ID |
BHPpj3dhcv3 |
| Name |
(1S,4S,7S,10R)-2-Oxo-3,12-diaza-tricyclo[8.2.1.0(3,7)]tridec-8-ene-4,12-dicarboxylic acid 12-(9H-fluoren-9-ylmethyl) ester |
| Appearance |
Colorless solid |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H26N2O5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C27H26N2O5/c30-25-24-13-16(9-10-17-11-12-23(26(31)32)29(17)25)14-28(24)27(33)34-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,16-17,22-24H,11-15H2,(H,31,32)/b10-9-/t16-,17+,23-,24-/m0/s1 |
| InChIKey |
SKDQIYXXDNTRNE-UJQLOMAQSA-N |
| Instrument Name |
Agilent HP6890-5937N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbic.202200372 |
| Molecular Weight |
458.514 g/mol |
| Optical Rotation |
[a]D20 = 10.86 (c = 0.135, CHCl3) |
| Reported Formula |
C27H26N2O5 |
| SMILES |
OC([C@]1(N2C([C@@]3(C[C@@](CN3C(=O)OCC3c4c(-c5c3cccc5)cccc4)(\C=C/[C@@]2(CC1)[H])[H])[H])=O)[H])=O |
| SPLASH |
splash10-004i-1900000000-50bdea96958f9f9c7e55 |
| Source of Spectrum |
CBC-23-SM8-Fmoc[ProM-5]OH |
| Thin-Layer Chromatography |
Rf = 0.09 (EtOAc/cHex/MeOH, 5:5:1) |
| Wiley ID |
1876089 |
![(1S,4S,7S,10R)-2-Oxo-3,12-diaza-tricyclo[8.2.1.0(3,7)]tridec-8-ene-4,12-dicarboxylic acid 12-(9H-fluoren-9-ylmethyl) ester](/api/spectrum/BHPpj3dhcv3/structure.png?h=300&w=458 "(1S,4S,7S,10R)-2-Oxo-3,12-diaza-tricyclo[8.2.1.0(3,7)]tridec-8-ene-4,12-dicarboxylic acid 12-(9H-fluoren-9-ylmethyl) ester")
