11-[4-[5-(furan-2-ylmethylsulfanyl)pentoxy]phenyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: 11-[4-[5-(furan-2-ylmethylsulfanyl)pentoxy]phenyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: 11-[4-[5-(2-furylmethylsulfanyl)pentoxy]phenyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: 11-[4-[5-(2-furanylmethylthio)pentoxy]phenyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: 11-[4-[5-(furan-2-ylmethylsulfanyl)pentoxy]phenyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: 11-[4-[5-(2-furfurylthio)pentoxy]phenyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C34H42O4S MolecularWeight: 546.75988

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2O)CCC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OCCCCCSCC6=CC=CO6

Isomeric SMILES

CC12CC(C3C(C1CCC2O)CCC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OCCCCCSCC6=CC=CO6

InChI

InChI=1S/C34H42O4S/c1-34-21-30(33-28-14-10-25(35)20-24(28)9-13-29(33)31(34)15-16-32(34)36)23-7-11-26(12-8-23)37-17-3-2-4-19-39-22-27-6-5-18-38-27/h5-8,10-12,14,18,20,29-33,35-36H,2-4,9,13,15-17,19,21-22H2,1H3