SpectraBase Spectrum ID |
6qZRqmalCiu |
Name |
2-[(3S,4R)-1-[(1S,2S)-2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)-ethyl]-2-oxo-4-((E)-styryl)-azetidin-3-yl]-isoindole-1,3-dione |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C28H23N3O7 |
InChI |
InChI=1S/C28H23N3O7/c32-16-23(25(33)18-11-13-19(14-12-18)31(37)38)29-22(15-10-17-6-2-1-3-7-17)24(28(29)36)30-26(34)20-8-4-5-9-21(20)27(30)35/h1-15,22-25,32-33H,16H2/b15-10+/t22-,23+,24+,25+/m1/s1 |
InChIKey |
JBRYXGDALIRTBU-COGYLNPZSA-N |
Molecular Weight |
513.506 g/mol |
SMILES |
O[C@]([C@](CO)(N1[C@@]([C@](N2C(c3ccccc3C2=O)=O)(C1=O)[H])(\C=C\c1ccccc1)[H])[H])(c1ccc(N(=O)=O)cc1)[H] |
SPLASH |
splash10-001i-0090000000-620dbbc007923d7c395f |
Source of Spectrum |
F-53-7991-7 |
Synonyms |
1-[(1'S,2'S)-1'-Phenyl-1',3'-dihydroxy-2-propyl]-3(R)-phthalimido-4(S)-styrylazetidin-2-one
2-{(3S,4R)-1-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidinyl}-1H-isoindole-1,3(2H)-dione |
Wiley ID |
802504 |