1-[3-(methoxymethyl)-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[3-(methoxymethyl)-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[3-hydroxy-3-(methoxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[3-hydroxy-3-(methoxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[3-hydroxy-3-(methoxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[3-hydroxy-3-(methoxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(4-pyridylthio)ethanone Formula: C28H41NO3S MolecularWeight: 471.69504

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CSC5=CC=NC=C5)C)(COC)O

Isomeric SMILES

CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CSC5=CC=NC=C5)C)(COC)O

InChI

InChI=1S/C28H41NO3S/c1-26-12-13-28(31,18-32-3)16-19(26)4-5-21-22-6-7-24(27(22,2)11-8-23(21)26)25(30)17-33-20-9-14-29-15-10-20/h9-10,14-15,19,21-24,31H,4-8,11-13,16-18H2,1-3H3