13-methyl-11-[4-[5-(pyridin-3-ylmethylsulfinyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: 13-methyl-11-[4-[5-(pyridin-3-ylmethylsulfinyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: 13-methyl-11-[4-[5-(3-pyridylmethylsulfinyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: 13-methyl-11-[4-[5-(3-pyridinylmethylsulfinyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: 13-methyl-11-[4-[5-(pyridin-3-ylmethylsulfinyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: 13-methyl-11-[4-[5-(3-pyridylmethylsulfinyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C35H43NO4S MolecularWeight: 573.78522

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2O)CCC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OCCCCCS(=O)CC6=CN=CC=C6

Isomeric SMILES

CC12CC(C3C(C1CCC2O)CCC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OCCCCCS(=O)CC6=CN=CC=C6

InChI

InChI=1S/C35H43NO4S/c1-35-21-31(34-29-14-10-27(37)20-26(29)9-13-30(34)32(35)15-16-33(35)38)25-7-11-28(12-8-25)40-18-3-2-4-19-41(39)23-24-6-5-17-36-22-24/h5-8,10-12,14,17,20,22,30-34,37-38H,2-4,9,13,15-16,18-19,21,23H2,1H3