Try beta.chemspider
- 3 of 3 defined stereocentres
(1R,4S,5R)-3-(1-Benzothiophen-2-ylmethoxy)-2-(1-benzothiophen-2-ylmethyl)-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid
c1ccc2c(c1)cc(s2)CC3=C([C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O)OCc4cc5ccccc5s4
InChI=1S/C25H22O6S2/c26-19-12-25(30,24(28)29)18(11-16-9-14-5-1-3-7-20(14)32-16)23(22(19)27)31-13-17-10-15-6-2-4-8-21(15)33-17/h1-10,19,22,26-27,30H,11-13H2,(H,28,29)/t19-,22+,25-/m1/s1
VMBRHYUYQSLVDS-RZTXVSJASA-N
CSID:26627909, http://www.chemspider.com/Chemical-Structure.26627909.html (accessed 06:25, May 18, 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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