| SpectraBase Spectrum ID |
1Mwnz2VJSa |
| Name |
(3aR)-5-benzyloxy-6-methoxy-7-methyl-2-methylene-3a,4-dihydro-3H-pyrrolo[1,2-a]indol-1-one |
| Appearance |
Light yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.152143537 u |
| Formula |
C21H21NO3 |
| InChI |
InChI=1S/C21H21NO3/c1-13-10-18-17(11-16-9-14(2)21(23)22(16)18)20(19(13)24-3)25-12-15-7-5-4-6-8-15/h4-8,10,16H,2,9,11-12H2,1,3H3/t16-/m0/s1 |
| InChIKey |
VGOCGVPRJNYFNR-INIZCTEOSA-N |
| Instrument Name |
Thermo Scientific Orbitrap Fusion system |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701895 |
| Molecular Weight |
335.403 g/mol |
| Optical Rotation |
[a]D25 = -469 (c = 0.64, CHCl3) |
| Quality |
82 |
| Reported Formula |
C21H21O3N |
| SMILES |
C1(=C(C2=C(C=C1C)N1[C@](C2)(CC(C1=O)=C)[H])OCC1=CC=CC=C1)OC |
| SPLASH |
splash10-00kf-6094000000-1d4e3085bb587f81f86a |
| Sample Comments |
83% ee |
| Source of Spectrum |
ACI-56-SM43-(-)-3e (DOI: 10.1002/anie.201701895) |
| Thin-Layer Chromatography |
0.52 (EtOAc/n-hexane, 1:1) |
| Wiley ID |
1895867 |
![(3aR)-5-benzyloxy-6-methoxy-7-methyl-2-methylene-3a,4-dihydro-3H-pyrrolo[1,2-a]indol-1-one](/api/spectrum/1Mwnz2VJSa/structure.png?h=300&w=458 "(3aR)-5-benzyloxy-6-methoxy-7-methyl-2-methylene-3a,4-dihydro-3H-pyrrolo[1,2-a]indol-1-one")
