5-BETA,14-BETA-PREGNAN-20-ONE, 3-BETA,5,14,19,21-PENTAHYDROXY-, 3,19-D IACETATE 21-(IODOACETATE)

pro_cas
19886-64-7
pro_cdbregno
CCD00242548
pro_formula
C27 H39 I O9
pro_molWeight
634.496

basic_info

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
EnglishSynonyms: 5-BETA,14-BETA-PREGNAN-20-ONE, 3-BETA,5,14,19,21-PENTAHYDROXY-, 3,19-D IACETATE 21-(IODOACETATE)
pro_mdlNumber: MFCD01698965
pro_acceptors: 9
pro_donors: 2
pro_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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