2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-8-methyl-8-(oxan-2-yloxy)-6-(phenylsulfonyl)nonan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane

Systemtic Name: 2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-8-methyl-8-(oxan-2-yloxy)-6-(phenylsulfonyl)nonan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane Openeye Name: 2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-(benzenesulfonyl)-1,7-dimethyl-7-tetrahydropyran-2-yloxy-octyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran CAS Name: 2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-(benzenesulfonyl)-8-methyl-8-(2-oxanyloxy)nonan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane IUPAC Name: 2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-(benzenesulfonyl)-8-methyl-8-(oxan-2-yloxy)nonan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane Traditional Name: 2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-besyl-1,7-dimethyl-7-tetrahydropyran-2-yloxy-octyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran Formula: C45H70O6S MolecularWeight: 739.0987

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(CC(C)(C)OC1CCCCO1)S(=O)(=O)C2=CC=CC=C2)C3CCC4C3(CCC5C4CC=C6C5(CCC(C6)OC7CCCCO7)C)C

Isomeric SMILES

C[C@H](CCCC(CC(C)(C)OC1CCCCO1)S(=O)(=O)C2=CC=CC=C2)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC7CCCCO7)C)C

InChI

InChI=1S/C45H70O6S/c1-32(14-13-17-36(52(46,47)35-15-7-6-8-16-35)31-43(2,3)51-42-19-10-12-29-49-42)38-22-23-39-37-21-20-33-30-34(50-41-18-9-11-28-48-41)24-26-44(33,4)40(37)25-27-45(38,39)5/h6-8,15-16,20,32,34,36-42H,9-14,17-19,21-31H2,1-5H3/t32-,34+,36?,37+,38-,39+,40+,41?,42?,44+,45-/m1/s1