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- 7 of 7 defined stereocentres
3-Sulfobenzoic acid - (11beta)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione (1:1)
O=S(=O)(O)c1cc(C(=O)O)ccc1.O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C
InChI=1S/C21H28O5.C7H6O5S/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3;1-4H,(H,8,9)(H,10,11,12)/t14-,15-,16-,18+,19-,20-,21-;/m0./s1
KCCZXZKDHDCKFK-WDCKKOMHSA-N
CSID:8048285, http://www.chemspider.com/Chemical-Structure.8048285.html (accessed 08:12, Jul 9, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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