Basic Information |
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| Product Name: | 5-BETA,14-BETA-PREGNAN-20-ONE, 3-BETA,5,14,19,21-PENTAHYDROXY-, 3,19-D IACETATE 21-(IODOACETATE) |
| CAS: | 19886-64-7 |
| English Synonyms: | 5-BETA,14-BETA-PREGNAN-20-ONE, 3-BETA,5,14,19,21-PENTAHYDROXY-, 3,19-D IACETATE 21-(IODOACETATE) |
| MDL Number.: | MFCD01698965 |
| H bond acceptor: | 9 |
| H bond donor: | 2 |
| Smile: | CC(=O)OC[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C(=O)COC(=O)CI)O)C)O)OC(=O)C |
| InChi: | InChI=1S/C27H39IO9/c1-16(29)36-15-25-9-4-18(37-17(2)30)12-26(25,33)10-6-20-19(25)5-8-24(3)21(7-11-27(20,24)34)22(31)14-35-23(32)13-28/h18-21,33-34H,4-15H2,1-3H3/t18-,19-,20+,21+,24+,25-,26-,27-/m0/s1 |
| InChiKey: | InChIKey=IIKJWHUZSBAFRB-QFEDGDFRSA-N |
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