basic_info |
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Product_Name: | ALLOTETRAHYDROCORTISONE |
CAS: | 547-77-3 |
EnglishSynonyms: | REICHSTEIN'S SUBSTANCE DEHYDRO C ; ALLOTETRAHYDROCORTISONE ; 5ALPHA-PREGNAN-3ALPHA,17,21-TRIOL-11,20-DIONE ; ALLO TH E ; ALLOTETRAHYDRO COMPOUND E ; 5ALPHA-PREGNANE-3ALPHA,17ALPHA,21-TRIOL-11,20-DIONE ; 3ALPHA,17ALPHA,21-TRIHYDROXY-5ALPHA-PREGNANE-11,20-DIONE |
pro_mdlNumber: | MFCD00069454 |
pro_acceptors: | 5 |
pro_donors: | 3 |
pro_smile: | C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O |
InChi: | InChI=1S/C21H32O5/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/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13+,14-,15-,18+,19-,20-,21-/m0/s1 |
InChiKey: | InChIKey=SYGWGHVTLUBCEM-TUJFWAKLSA-N |
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