[(3S,7R,10R,13S,16R,17R)-16-bromanyl-10,13-dimethyl-7-oxidanyl-17-propanoyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pentanoate

Systemtic Name: [(3S,7R,10R,13S,16R,17R)-16-bromanyl-10,13-dimethyl-7-oxidanyl-17-propanoyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pentanoate Openeye Name: [(3S,7R,10R,13S,16R,17R)-16-bromo-7-hydroxy-10,13-dimethyl-17-propanoyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pentanoate CAS Name: pentanoic acid [(3S,7R,10R,13S,16R,17R)-16-bromo-7-hydroxy-10,13-dimethyl-17-(1-oxopropoxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,7R,10R,13S,16R,17R)-16-bromo-7-hydroxy-10,13-dimethyl-17-propanoyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pentanoate Traditional Name: valeric acid [(3S,7R,10R,13S,16R,17R)-16-bromo-7-hydroxy-10,13-dimethyl-17-propionyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C27H41BrO5 MolecularWeight: 525.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1CCC2(C3CCC4(C(C3C(C=C2C1)O)CC(C4OC(=O)CC)Br)C)C

Isomeric SMILES

CCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H]([C@@H](CC4C3[C@H](C=C2C1)O)Br)OC(=O)CC)C)C

InChI

InChI=1S/C27H41BrO5/c1-5-7-8-23(31)32-17-9-11-26(3)16(13-17)14-21(29)24-18(26)10-12-27(4)19(24)15-20(28)25(27)33-22(30)6-2/h14,17-21,24-25,29H,5-13,15H2,1-4H3/t17-,18?,19?,20+,21-,24?,25-,26-,27-/m0/s1