| SpectraBase Spectrum ID |
EJfOVJQIKgC |
| Name |
3,7-Dihydroxycymopolone |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H23BrO5 |
| InChI |
InChI=1S/C16H23BrO5/c1-15(2,21)5-4-6-16(3,22)9-14(20)10-7-13(19)11(17)8-12(10)18/h7-8,18-19,21-22H,4-6,9H2,1-3H3 |
| InChIKey |
KGQBMEHTCOJIMT-UHFFFAOYSA-N |
| Instrument Name |
Micromass Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010418q |
| Molecular Weight |
375.259 g/mol |
| Optical Rotation |
[a]D25= -14.6?? (c, 0.2, CHCl3) |
| Reported Formula |
C16H23O5Br |
| SMILES |
OC(CCCC(CC(c1c(cc(c(c1)O)Br)O)=O)(C)O)(C)C |
| SPLASH |
splash10-0aor-2190000000-5cacc760e5316f36cb23 |
| Source of Spectrum |
G4-65-332-3 |
| Wiley ID |
1881060 |
