basic_info |
|
| Product_Name: | 5-PREGNEN-3BETA-OL-20-ONE 21-ALDEHYDE HEMIACETAL |
| EnglishSynonyms: | PREGNENOLONE ALDEHYDE HEMIACETAL ; 5-PREGNEN-3BETA-OL-20-ONE 21-ALDEHYDE HEMIACETAL |
| pro_mdlNumber: | MFCD03695672 |
| pro_acceptors: | 3 |
| pro_donors: | 1 |
| pro_smile: | C[C@]12CC[C@H]3[C@@H]4[C@@H]1CC[C@@H]2C(=O)C(O[C@H]5CC[C@]3(C(=CC4)C5)C)O |
| InChi: | InChI=1S/C21H30O3/c1-20-9-7-13-11-12(20)3-4-14-15-5-6-17(18(22)19(23)24-13)21(15,2)10-8-16(14)20/h3,13-17,19,23H,4-11H2,1-2H3/t13-,14-,15-,16-,17+,19?,20-,21-/m0/s1 |
| InChiKey: | InChIKey=DJXISBUCZZXPKQ-ABBIABQISA-N |
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