methyl (4R)-4-[(3S,5R,8R,9S,10S,12S,13R,14S,17R)-3-(2-bromoethyloxy)-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: methyl (4R)-4-[(3S,5R,8R,9S,10S,12S,13R,14S,17R)-3-(2-bromoethyloxy)-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl (4R)-4-[(3S,5R,8R,9S,10S,12S,13R,14S,17R)-3-(2-bromoethoxy)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(3S,5R,8R,9S,10S,12S,13R,14S,17R)-3-(2-bromoethoxy)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[(3S,5R,8R,9S,10S,12S,13R,14S,17R)-3-(2-bromoethoxy)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(3S,5R,8R,9S,10S,12S,13R,14S,17R)-3-(2-bromoethoxy)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Formula: C27H45BrO4 MolecularWeight: 513.5478

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OCCBr)C)O)C

Isomeric SMILES

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)OCCBr)C)O)C

InChI

InChI=1S/C27H45BrO4/c1-17(5-10-25(30)31-4)21-8-9-22-20-7-6-18-15-19(32-14-13-28)11-12-26(18,2)23(20)16-24(29)27(21,22)3/h17-24,29H,5-16H2,1-4H3/t17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1