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azane; 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)-4-[[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxidanyl-phosphoryl]oxy-but-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid
azane; 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)-4-[[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxidanyl-phosphoryl]oxy-but-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid
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Canonical SMILES:
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OP(=O)(O)OCCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C)C.N
Isomeric SMILES
CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OP(=O)(O)OCCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C)C.N
InChI
InChI=1S/C45H59Cl2O10P.H3N/c1-25(2)8-6-9-26(3)35-13-14-36-32-12-11-29-24-30(15-17-44(29,4)37(32)16-18-45(35,36)5)57-58(54,55)56-19-7-10-31(27-20-33(42(50)51)40(48)38(46)22-27)28-21-34(43(52)53)41(49)39(47)23-28;/h10-11,20-23,25-26,30,32,35-37,48-49H,6-9,12-19,24H2,1-5H3,(H,50,51)(H,52,53)(H,54,55);1H3/t26?,30-,32?,35+,36?,37?,44-,45+;/m0./s1
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