| SpectraBase Spectrum ID |
2zanh6nEWJ0 |
| Name |
Brachystemidine E |
| Appearance |
Colorless gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16N2O6 |
| InChI |
InChI=1S/C14H16N2O6/c17-10-6-11(18)16(12(10)19)13-8(3-5-21-13)7-22-14(20)9-2-1-4-15-9/h1-4,10-11,13,15,17-18H,5-7H2/t10?,11?,13-/m1/s1 |
| InChIKey |
FNUUELXEOOURSN-GCZXYKMCSA-N |
| Instrument Name |
VG Auto Spec-3000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010330c |
| Molecular Weight |
308.290 g/mol |
| Optical Rotation |
[a]D28 = +0.76 (c = 1.65, MeOH) |
| SMILES |
OC1N(C(C(C1)O)=O)[C@]1(C(=CCO1)COC(c1ccc[nH]1)=O)[H] |
| SPLASH |
splash10-000x-9300000000-e7547b0c8b1e411ff0bb |
| Source of Spectrum |
G4-65-752-5 |
| Wiley ID |
1881119 |
