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[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-[(2,4,6-trinitrophenyl)amino]dodecanoate
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-[(2,4,6-trinitrophenyl)amino]dodecanoate
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Canonical SMILES:
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCCCCCCCCCNC5=C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C)C
Isomeric SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCCCCCCCCCCNC5=C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C)C
InChI
InChI=1S/C45H70N4O8/c1-31(2)16-15-17-32(3)37-21-22-38-36-20-19-33-28-35(23-25-44(33,4)39(36)24-26-45(37,38)5)57-42(50)18-13-11-9-7-6-8-10-12-14-27-46-43-40(48(53)54)29-34(47(51)52)30-41(43)49(55)56/h19,29-32,35-39,46H,6-18,20-28H2,1-5H3/t32-,35+,36+,37-,38+,39+,44+,45-/m1/s1
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