Try beta.chemspider
- 2 of 2 defined stereocentres
- Non-standard isotope
(3R,4S)-8-Hydroxy-3-methyl-4,5-bis[(~2~H_3_)methyl]-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
[2H]C([2H])([2H])C1=C2[C@@H]([C@@H](C)OC=C2C(O)=C(C1=O)C(O)=O)C([2H])([2H])[2H]
InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1/i1D3,2D3
CQIUKKVOEOPUDV-LTNSUXMLSA-N
CSID:107442075, http://www.chemspider.com/Chemical-Structure.107442075.html (accessed 22:42, Apr 29, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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