[(8R,9S,13S,14S,17S)-2,4-bis(bromanyl)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(8R,9S,13S,14S,17S)-2,4-bis(bromanyl)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(8R,9S,13S,14S,17S)-2,4-dibromo-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(8R,9S,13S,14S,17S)-2,4-dibromo-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-2,4-dibromo-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(8R,9S,13S,14S,17S)-2,4-dibromo-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C20H24Br2O3 MolecularWeight: 472.21076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2CCC4=C(C(=C(C=C34)Br)O)Br)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=C(C=C34)Br)O)Br)C

InChI

InChI=1S/C20H24Br2O3/c1-10(23)25-17-6-5-15-12-3-4-13-14(9-16(21)19(24)18(13)22)11(12)7-8-20(15,17)2/h9,11-12,15,17,24H,3-8H2,1-2H3/t11-,12+,15-,17-,20-/m0/s1