2-bromanyl-1-[10,13-dimethyl-3-oxidanyl-3-(4-oxidanylbut-1-ynyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

Systemtic Name: 2-bromanyl-1-[10,13-dimethyl-3-oxidanyl-3-(4-oxidanylbut-1-ynyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone Openeye Name: 2-bromo-1-[3-hydroxy-3-(4-hydroxybut-1-ynyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone CAS Name: 2-bromo-1-[3-hydroxy-3-(4-hydroxybut-1-ynyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone IUPAC Name: 2-bromo-1-[3-hydroxy-3-(4-hydroxybut-1-ynyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone Traditional Name: 2-bromo-1-[3-hydroxy-3-(4-hydroxybut-1-ynyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone Formula: C25H37BrO3 MolecularWeight: 465.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CBr)C)(C#CCCO)O

Isomeric SMILES

CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CBr)C)(C#CCCO)O

InChI

InChI=1S/C25H37BrO3/c1-23-12-13-25(29,10-3-4-14-27)15-17(23)5-6-18-19-7-8-21(22(28)16-26)24(19,2)11-9-20(18)23/h17-21,27,29H,4-9,11-16H2,1-2H3