| SpectraBase Spectrum ID |
8nufuW9tfT0 |
| Name |
(3aS,6S,8aR)-tert-Butyl 6-ethyl-7-((S)-1-methoxy-1-oxo-3-phenylpropane-2-yl)-8-oxo-3,3a,6,7,8,8a-hexahydropyrrolo[2,3-c]azepin-1(2H)-carboxylate |
| Appearance |
Colorless viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H34N2O5 |
| InChI |
InChI=1S/C25H34N2O5/c1-6-19-13-12-18-14-15-26(24(30)32-25(2,3)4)21(18)22(28)27(19)20(23(29)31-5)16-17-10-8-7-9-11-17/h7-13,18-21H,6,14-16H2,1-5H3/t18-,19+,20+,21-/m1/s1 |
| InChIKey |
OMWXGJYLSVSXES-IVAOSVALSA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
442.556 g/mol |
| Optical Rotation |
[a]D20 = +126.1 (365 nm), +92.6 (436 nm), -59.7 (546 nm), -53.5 (579 nm), -50.7 (589 nm) (c = 0.520 g/100 ml, CHCl3) |
| SMILES |
C1N([C@@]2([C@@](C1)(C=C[C@@](N(C2=O)[C@](C(=O)OC)(Cc1ccccc1)[H])(CC)[H])[H])[H])C(=O)OC(C)(C)C |
| SPLASH |
splash10-00du-6971000000-aca3f7973f18d36f9809 |
| Source of Spectrum |
QE-26-SM36-(S,R,S,S)-7b |
| Thin-Layer Chromatography |
Rf = 0.18 (Silica, cHex/EtOAc, 1:1) |
| Wiley ID |
1858593 |
![(3aS,6S,8aR)-tert-Butyl 6-ethyl-7-((S)-1-methoxy-1-oxo-3-phenylpropane-2-yl)-8-oxo-3,3a,6,7,8,8a-hexahydropyrrolo[2,3-c]azepin-1(2H)-carboxylate](/api/spectrum/8nufuW9tfT0/structure.png?h=300&w=458 "(3aS,6S,8aR)-tert-Butyl 6-ethyl-7-((S)-1-methoxy-1-oxo-3-phenylpropane-2-yl)-8-oxo-3,3a,6,7,8,8a-hexahydropyrrolo[2,3-c]azepin-1(2H)-carboxylate")
