SpectraBase Spectrum ID |
5zQ0VFSLv7m |
Name |
2,6-Dihydroxy-4-[(1S,2R)-2-hydroxy-1-methyl-propyl]-3-methyl-benzoic acid |
CAS Registry Number |
110087-26-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C12H16O5 |
InChI |
InChI=1S/C12H16O5/c1-5(7(3)13)8-4-9(14)10(12(16)17)11(15)6(8)2/h4-5,7,13-15H,1-3H3,(H,16,17)/t5-,7-/m1/s1 |
InChIKey |
UHEOCPAMGZSLMB-IYSWYEEDSA-N |
Molecular Weight |
240.255 g/mol |
SMILES |
Oc1cc(c(c(c1C(=O)O)O)C)[C@@]([C@](O)(C)[H])(C)[H] |
SPLASH |
splash10-004i-0920000000-3b19dec80132d851f147 |
Source of Spectrum |
KC-1986-2108-25 |
Synonyms |
2,6-Dihydroxy-4-[(2S,3R)-3-hydroxybutan-2-yl]-3-methylbenzoic acid
3-Methyl-2,6-bis(oxidanyl)-4-[(2S,3R)-3-oxidanylbutan-2-yl]benzoic acid |
Wiley ID |
1242669 |