| SpectraBase Spectrum ID |
7xz6f3C6VXg |
| Name |
Methyl 4-hydroxy-3-(2',3'-dihydroxy-3'-methylbutyl)benzoate |
| Appearance |
White amorphous powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O5 |
| InChI |
InChI=1S/C13H18O5/c1-13(2,17)11(15)7-9-6-8(12(16)18-3)4-5-10(9)14/h4-6,11,14-15,17H,7H2,1-3H3 |
| InChIKey |
ABFHVQPVDSMGNR-UHFFFAOYSA-N |
| Instrument Name |
HP 5990/5988A & VG Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030530j |
| Molecular Weight |
254.282 g/mol |
| Optical Rotation |
[a]D25 = -36.2 (c = 0.78, MeOH) |
| SMILES |
OC(C(O)(C)C)Cc1cc(ccc1O)C(=O)OC |
| SPLASH |
splash10-05to-9720000000-2c2d8adaa3b80ad08b08 |
| Source of Spectrum |
G4-67-1787-18 |
| Synonyms |
Hostmaniane |
| Wiley ID |
1881570 |
