20-OXOPREGN-5-EN-3-YL 4-METHYLBENZENESULFONATE

pro_cas
pro_cdbregno
CCD04186261
pro_formula
C28 H38 O4 S
pro_molWeight
470.67

basic_info

Product_Name: 20-OXOPREGN-5-EN-3-YL 4-METHYLBENZENESULFONATE
EnglishSynonyms: 20-OXOPREGN-5-EN-3-YL 4-METHYLBENZENESULFONATE
pro_mdlNumber: MFCD18429631
pro_acceptors: 4
pro_donors: 0
pro_smile: Cc1ccc(cc1)S(=O)(=O)OC2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CCC5C(=O)C)C)C
InChi: InChI=1S/C28H38O4S/c1-18-5-8-22(9-6-18)33(30,31)32-21-13-15-27(3)20(17-21)7-10-23-25-12-11-24(19(2)29)28(25,4)16-14-26(23)27/h5-9,21,23-26H,10-17H2,1-4H3/t21?,23-,24?,25-,26-,27-,28+/m0/s1
InChiKey: InChIKey=MOQRKBVEMYSZBB-QNJKSNNTSA-N

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