5-(2-heptylsulfanylethyl)-10,13-dimethyl-1,2,3,4,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: 5-(2-heptylsulfanylethyl)-10,13-dimethyl-1,2,3,4,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: 5-(2-heptylsulfanylethyl)-10,13-dimethyl-1,2,3,4,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: 5-[2-(heptylthio)ethyl]-10,13-dimethyl-1,2,3,4,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: 5-(2-heptylsulfanylethyl)-10,13-dimethyl-1,2,3,4,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: 5-[2-(heptylthio)ethyl]-10,13-dimethyl-1,2,3,4,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C28H48O2S MolecularWeight: 448.74452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCCC12CCC3C4CCC(C4(CC=C3C1(CCC(C2)O)C)C)O

Isomeric SMILES

CCCCCCCSCCC12CCC3C4CCC(C4(CC=C3C1(CCC(C2)O)C)C)O

InChI

InChI=1S/C28H48O2S/c1-4-5-6-7-8-18-31-19-17-28-16-12-22-23-9-10-25(30)26(23,2)14-13-24(22)27(28,3)15-11-21(29)20-28/h13,21-23,25,29-30H,4-12,14-20H2,1-3H3