1H,3H-Pyrrolo[1,2-c]oxazole, benzenepropanoic acid deriv.

SpectraBase Compound ID	G0DBYLrXp44
InChI	InChI=1S/C26H31NO6/c1-25(2,3)23-27-16-19(32-21(29)14-20(28)17-10-6-4-7-11-17)15-26(27,24(31)33-23)22(30)18-12-8-5-9-13-18/h4-13,19-20,22-23,28,30H,14-16H2,1-3H3/t19-,20?,22?,23-,26-/m1/s1
InChIKey	KGFLGGDROJHKEV-VJUUMXRSSA-N Google Search
Mol Weight	453.54 g/mol
Molecular Formula	C26H31NO6
Exact Mass	453.215138 g/mol

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SpectraBase Spectrum ID	574vTdVZf14
Name	1H,3H-Pyrrolo[1,2-c]oxazole, benzenepropanoic acid deriv.
Alternate Name(s)	Benzenepropanoic acid, .beta.-hydroxy-, 3-(1,1-dimethylethyl)tetrahydro-7a-(hydroxyphenylmethyl)-1-oxo-1H,3H-pyrrolo[1,2-c]oxazol-6-yl ester (3R,6R,7aR)-3-tert-butyl-7a-[hydroxy(phenyl)methyl]-1-oxotetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl 3-hydroxy-3-phenylpropanoate 3-Hydroxy-3-phenylpropionsaure-[(2R,5R,7R)-2-(tert-butyl)-5-(.alpha.-hydroxybenzyl)-4-oxo-3-oxa-1-aza-bicyclo[3.3.0]oct-7-yl]ester
CAS Registry Number	97652-13-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H31NO6
InChI	InChI=1S/C26H31NO6/c1-25(2,3)23-27-16-19(32-21(29)14-20(28)17-10-6-4-7-11-17)15-26(27,24(31)33-23)22(30)18-12-8-5-9-13-18/h4-13,19-20,22-23,28,30H,14-16H2,1-3H3/t19-,20?,22?,23-,26-/m1/s1
InChIKey	KGFLGGDROJHKEV-VJUUMXRSSA-N
Molecular Weight	453.535 g/mol
SMILES	OC(CC(O[C@]1(CN2[C@](C(c3ccccc3)O)(C(O[C@@]2(C(C)(C)C)[H])=O)C1)[H])=O)c1ccccc1
SPLASH	splash10-057u-8900200000-3c9a72df33d2e1a02607
Source of Spectrum	H-68-160-11
Wiley ID	1388523