[(3S,6R,8S,9S,13R,14S,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methylastatine-211

Systemtic Name: [(3S,6R,8S,9S,13R,14S,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methylastatine-211 Openeye Name: [(3S,6R,8S,9S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methylastatine-211 CAS Name: [(3S,6R,8S,9S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methylastatine-211 IUPAC Name: [(3S,6R,8S,9S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methylastatine-211 Traditional Name: [(3S,6R,8S,9S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methylastatine-211 Formula: C27H45AtO MolecularWeight: 596.633081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4=C3CCC(C4)O)C[At])C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=C3CC[C@@H](C4)O)C[211At])C

InChI

InChI=1S/C27H45AtO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18-,19+,20+,22-,24-,25-,26+,27-/m1/s1/i28+1