| SpectraBase Spectrum ID |
8pzRqfOy9UT |
| Name |
(4S,5R,10S)-(-)-aignopsanoic acid A |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| GC Column |
Optima delta (20 m x 0.25 mm) |
| InChI |
InChI=1S/C15H22O3/c1-10-5-4-7-15(3)13(18)11(9-12(16)17)6-8-14(10,15)2/h9-10H,4-8H2,1-3H3,(H,16,17)/b11-9-/t10-,14+,15+/m0/s1 |
| InChIKey |
RIUVXDXRPZIYCQ-HRUWLGOTSA-N |
| Instrument Name |
Finnigan trace GC-MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201404766 |
| Molecular Weight |
250.338 g/mol |
| Optical Rotation |
[a]D20 = -39.1 (c = 0.01, MeOH) |
| Quality |
403 |
| SMILES |
OC(\C=C\1CC[C@@]2([C@](CCC[C@@]2(C1=O)C)(C)[H])C)=O |
| SPLASH |
splash10-08gi-5910000000-22aed0edd4b3b9f28f63 |
| Source of Spectrum |
QE-21-400-1 (DOI: 10.1002/chem.201404766) |
| Wiley ID |
1906270 |
