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

Systemtic Name: [(8S,9R,11S,13S,14S,17S)-13-methyl-3,17-bis(phenylmethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(8S,9R,11S,13S,14S,17S)-3,17-dibenzyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(8S,9R,11S,13S,14S,17S)-13-methyl-3,17-bis(phenylmethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]methyl ester IUPAC Name: [(8S,9R,11S,13S,14S,17S)-13-methyl-3,17-bis(phenylmethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(8S,9R,11S,13S,14S,17S)-3,17-dibenzoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]methyl ester Formula: C40H44O5S MolecularWeight: 636.83936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3(C(CCC3OCC4=CC=CC=C4)C5C2C6=C(CC5)C=C(C=C6)OCC7=CC=CC=C7)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2C[C@]3([C@@H](CC[C@@H]3OCC4=CC=CC=C4)[C@H]5[C@H]2C6=C(CC5)C=C(C=C6)OCC7=CC=CC=C7)C

InChI

InChI=1S/C40H44O5S/c1-28-13-17-34(18-14-28)46(41,42)45-27-32-24-40(2)37(21-22-38(40)44-26-30-11-7-4-8-12-30)36-19-15-31-23-33(16-20-35(31)39(32)36)43-25-29-9-5-3-6-10-29/h3-14,16-18,20,23,32,36-39H,15,19,21-22,24-27H2,1-2H3/t32-,36+,37+,38+,39-,40+/m1/s1