[(8R,9S,13S,14S,16R,17R)-4-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)-4-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)-4-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)-4-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)-4-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)-4-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=C3C=CC(=C4Br)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2OC=O)OC=O)CCC4=C3C=CC(=C4Br)O

InChI

InChI=1S/C20H23BrO5/c1-20-7-6-12-11-4-5-16(24)18(21)14(11)3-2-13(12)15(20)8-17(25-9-22)19(20)26-10-23/h4-5,9-10,12-13,15,17,19,24H,2-3,6-8H2,1H3/t12-,13-,15+,17-,19+,20+/m1/s1