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Amb2617363

Duplicate ID
Molecule Name 10,13-dimethyl-17-[1-methyl-3-(6-methyl-1H-benzimidazol-2-yl)propyl]hexadecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
SmilesOC1CC[C@]2([C@@H](C1)CCC1C2C[C@H](O)[C@]2(C1CCC2C(CCc1nc2c([nH]1)cc(cc2)C)C)C)C
InchiKeyYBTASYSZWGVCAL-UFPQOGPRSA-N
InChi InChI=1S/C31H46N2O2/c1-18-5-11-26-27(15-18)33-29(32-26)12-6-19(2)23-9-10-24-22-8-7-20-16-21(34)13-14-30(20,3)25(22)17-28(35)31(23,24)4/h5,11,15,19-25,28,34-35H,6-10,12-14,16-17H2,1-4H3,(H,32,33)/t19?,20-,21?,22?,23?,24?,25?,28+,30+,31-/m1/s1
Formula C31H46N2O2
Molecular weight 478.709
Rings 6
logP 6.4306
PSA 69.14
MR 145.127
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