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

Systemtic Name: [(8R,9S,13S,14S,16R,17R)-2-bromanyl-17-methanoyloxy-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] methanoate Openeye Name: [(8R,9S,13S,14S,16R,17R)-2-bromo-17-formyloxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] formate CAS Name: formic acid [(8R,9S,13S,14S,16R,17R)-2-bromo-17-formyloxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] ester IUPAC Name: [(8R,9S,13S,14S,16R,17R)-2-bromo-17-formyloxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] formate Traditional Name: formic acid [(8R,9S,13S,14S,16R,17R)-2-bromo-17-formyloxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] ester Formula: C20H23BrO5 MolecularWeight: 423.29762

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2OC=O)OC=O)CCC4=CC(=C(C=C34)Br)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2OC=O)OC=O)CCC4=CC(=C(C=C34)Br)O

InChI

InChI=1S/C20H23BrO5/c1-20-5-4-12-13(3-2-11-6-17(24)16(21)7-14(11)12)15(20)8-18(25-9-22)19(20)26-10-23/h6-7,9-10,12-13,15,18-19,24H,2-5,8H2,1H3/t12-,13+,15-,18+,19-,20-/m0/s1