| SpectraBase Spectrum ID |
EXPN3D16hFi |
| Name |
(3R,3aR)-5-benzyloxy-3-hydroxy-6-methoxy-7-methyl-2-methylene-3a,4-dihydro-3H-pyrrolo[1,2-a]indol-1-one |
| Appearance |
Brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.147058156 u |
| Formula |
C21H21NO4 |
| InChI |
InChI=1S/C21H21NO4/c1-12-9-16-15(10-17-18(23)13(2)21(24)22(16)17)20(19(12)25-3)26-11-14-7-5-4-6-8-14/h4-9,17-18,23H,2,10-11H2,1,3H3/t17-,18-/m1/s1 |
| InChIKey |
RKCAJUOFJNAJGV-QZTJIDSGSA-N |
| Instrument Name |
Thermo Scientific Orbitrap Fusion system |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701895 |
| Molecular Weight |
351.402 g/mol |
| Optical Rotation |
[a]D25 = -475 (c = 0.74, CHCl3) |
| Quality |
87 |
| Reported Formula |
C21H21O4N |
| SMILES |
O[C@]1([C@]2(CC=3C(=C(C(=CC3N2C(C1=C)=O)C)OC)OCC1=CC=CC=C1)[H])[H] |
| SPLASH |
splash10-05fr-9060000000-73b3f88f149d1a107a60 |
| Sample Comments |
94% ee |
| Source of Spectrum |
ACI-56-SM44-(-)-5 (DOI: 10.1002/anie.201701895) |
| Thin-Layer Chromatography |
0.19 (EtOAc/n/hexane, 1:1) |
| Wiley ID |
1895868 |
![(3R,3aR)-5-benzyloxy-3-hydroxy-6-methoxy-7-methyl-2-methylene-3a,4-dihydro-3H-pyrrolo[1,2-a]indol-1-one](/api/spectrum/EXPN3D16hFi/structure.png?h=300&w=458 "(3R,3aR)-5-benzyloxy-3-hydroxy-6-methoxy-7-methyl-2-methylene-3a,4-dihydro-3H-pyrrolo[1,2-a]indol-1-one")
