| SpectraBase Spectrum ID |
FUFQI31wE5z |
| Name |
Aristelegone-D |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-7-5-11(14)13(15)10-4-8(2)12(16-3)6-9(7)10/h4,6-7,11,13-15H,5H2,1-3H3/t7-,11+,13-/m1/s1 |
| InChIKey |
DSXFEBWYDMBLBH-BITCUVMXSA-N |
| Instrument Name |
VG 70-250 S |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020218u |
| Molecular Weight |
222.284 g/mol |
| Optical Rotation |
[a]D25 = -70.6 (c = 0.017, CHCl3) |
| Reported Formula |
C13H18O3 |
| SMILES |
O[C@@]1([C@@](c2cc(c(cc2[C@@](C1)(C)[H])OC)C)(O)[H])[H] |
| SPLASH |
splash10-00b9-1930000000-8871a8b12f6ae3679c74 |
| Source of Spectrum |
G4-65-1524-4 |
| Wiley ID |
1883500 |
