Basic Information |
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Product Name: | 4-PREGNEN-21-OL-3,20-DIONE-3-GLUCURONIDE METHYL ESTER |
English Synonyms: | DESOXYCORTICOSTERONE-3-GLUCURONIDE METHYL ESTER ; 4-PREGNEN-21-OL-3,20-DIONE-3-GLUCURONIDE METHYL ESTER |
MDL Number.: | MFCD00467457 |
H bond acceptor: | 9 |
H bond donor: | 3 |
Smile: | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O)CCC5=CC(=O)CC[C@]35C |
InChi: | InChI=1S/C28H40O9/c1-27-10-8-15(29)12-14(27)4-5-16-17-6-7-19(28(17,2)11-9-18(16)27)20(30)13-36-26-23(33)21(31)22(32)24(37-26)25(34)35-3/h12,16-19,21-24,26,31-33H,4-11,13H2,1-3H3/t16-,17-,18-,19+,21-,22-,23+,24-,26?,27-,28-/m0/s1 |
InChiKey: | InChIKey=RNEMQNYRLAXIKW-ORKXFCNDSA-N |
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