| SpectraBase Spectrum ID |
InpKGoQ50h0 |
| Name |
(4S,6S,7R,8R,8aS)-7-Amino-4,6,8-triphenylhexahydropyrrolo[1,2-a]pyrazin-1(2H)-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H25N3O |
| InChI |
InChI=1S/C25H25N3O/c26-22-21(18-12-6-2-7-13-18)24-25(29)27-16-20(17-10-4-1-5-11-17)28(24)23(22)19-14-8-3-9-15-19/h1-15,20-24H,16,26H2,(H,27,29)/t20-,21-,22-,23+,24+/m1/s1 |
| InChIKey |
MEKLQWWHIVYLJZ-VDLPQLTJSA-N |
| Instrument Name |
Shimadzu QP-5000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cctc.201902382 |
| Molecular Weight |
383.495 g/mol |
| Optical Rotation |
[a]D26 = 102.5 (c = 0.7, CHCl3) |
| Reported Formula |
C25H25N3O |
| SMILES |
N[C@]1([C@@](N2[C@](C(NC[C@@]2(c2ccccc2)[H])=O)([C@@]1(c1ccccc1)[H])[H])(c1ccccc1)[H])[H] |
| SPLASH |
splash10-03di-1790000000-e4b2aae331a79a5993a3 |
| Source of Spectrum |
CCC-12-2020-18 |
| Wiley ID |
1839877 |
![(4S,6S,7R,8R,8aS)-7-Amino-4,6,8-triphenylhexahydropyrrolo[1,2-a]pyrazin-1(2H)-one](/api/spectrum/InpKGoQ50h0/structure.png?h=300&w=458 "(4S,6S,7R,8R,8aS)-7-Amino-4,6,8-triphenylhexahydropyrrolo[1,2-a]pyrazin-1(2H)-one")
