(8S,11R,13S,14S,17S)-17-[2-(4-hydroxyphenyl)ethynyl]-11-(3-methoxyphenyl)-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (8S,11R,13S,14S,17S)-17-[2-(4-hydroxyphenyl)ethynyl]-11-(3-methoxyphenyl)-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,11R,13S,14S,17S)-17-hydroxy-17-[2-(4-hydroxyphenyl)ethynyl]-11-(3-methoxyphenyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,11R,13S,14S,17S)-17-hydroxy-17-[2-(4-hydroxyphenyl)ethynyl]-11-(3-methoxyphenyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,11R,13S,14S,17S)-17-hydroxy-17-[2-(4-hydroxyphenyl)ethynyl]-11-(3-methoxyphenyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,11R,13S,14S,17S)-17-hydroxy-17-[2-(4-hydroxyphenyl)ethynyl]-11-(3-methoxyphenyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C33H34O4 MolecularWeight: 494.62066

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CC5=CC=C(C=C5)O)O)C6=CC(=CC=C6)OC

Isomeric SMILES

C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CC5=CC=C(C=C5)O)O)C6=CC(=CC=C6)OC

InChI

InChI=1S/C33H34O4/c1-32-20-29(22-4-3-5-26(19-22)37-2)31-27-13-11-25(35)18-23(27)8-12-28(31)30(32)15-17-33(32,36)16-14-21-6-9-24(34)10-7-21/h3-7,9-10,18-19,28-30,34,36H,8,11-13,15,17,20H2,1-2H3/t28-,29+,30-,32-,33-/m0/s1