| SpectraBase Spectrum ID |
LFlgbLOc9S9 |
| Name |
Aquilarabietic acid F |
| Appearance |
Colorless, block crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-11(2)20-9-6-13-12(16(20)23-20)10-14-15-18(13,3)7-5-8-19(15,4)17(21)22-14/h10-11,13-16H,5-9H2,1-4H3/t13-,14-,15+,16-,18+,19+,20-/m0/s1 |
| InChIKey |
LCMPHUFXGRWSHE-FDMURRQVSA-N |
| Instrument Name |
AutoSpec Ultima-TOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np3006925 |
| Molecular Weight |
316.441 g/mol |
| Optical Rotation |
[a]D20 =+24.7 (c = 0.2, acetone) |
| Reported Formula |
C20H28O3 |
| SMILES |
C1C[C@@]2(C)C(=O)O[C@@]3([C@]2([H])[C@@](C)([C@@]2([H])CC[C@@]4(C(C)C)O[C@]4(C2=C3)[H])C1)[H] |
| SPLASH |
splash10-0f79-1960000000-49d9b0065880c6caca07 |
| Source of Spectrum |
G4-76-SM26-6 |
| Wiley ID |
1854865 |
