| SpectraBase Spectrum ID |
LHOn0ZokBbs |
| Name |
Bavachin |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20O4 |
| InChI |
InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1 |
| InChIKey |
OAUREGNZECGNQS-IBGZPJMESA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010288l |
| Molecular Weight |
324.376 g/mol |
| Optical Rotation |
[a]D20 = -50.0 (c = 0.02, MeOH) |
| SMILES |
Oc1ccc([C@@]2(CC(c3c(cc(c(c3)CC=C(C)C)O)O2)=O)[H])cc1 |
| SPLASH |
splash10-05fr-0957000000-6ef7cab898ae1c326403 |
| Source of Spectrum |
G4-64-SM5-SM5-1 |
| Wiley ID |
1882903 |
