| SpectraBase Spectrum ID |
3rbKk8d93Q |
| Name |
Brachystemidine C |
| Appearance |
Colorless gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18N2O6 |
| InChI |
InChI=1S/C15H18N2O6/c1-21-12-7-11(18)13(19)17(12)14-9(4-6-22-14)8-23-15(20)10-3-2-5-16-10/h2-5,11-12,14,16,18H,6-8H2,1H3/t11?,12?,14-/m1/s1 |
| InChIKey |
XXNXFWDNPYKFDJ-ORHYLEIMSA-N |
| Instrument Name |
VG Auto Spec-3000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010330c |
| Molecular Weight |
322.317 g/mol |
| Optical Rotation |
[a]D21 = -21.0 (c = 0.25, CHCl3) |
| SMILES |
OC1C(N([C@@]2(OCC=C2COC(c2ccc[nH]2)=O)[H])C(C1)OC)=O |
| SPLASH |
splash10-000x-9400000000-ddede0d99001db998b76 |
| Source of Spectrum |
G4-65-752-3 |
| Wiley ID |
1881117 |
