(3R,5R,8R,9S,10S,13S,14S,17S)-3-[2-(2-methoxyphenyl)ethynyl]-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol

Systemtic Name: (3R,5R,8R,9S,10S,13S,14S,17S)-3-[2-(2-methoxyphenyl)ethynyl]-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol Openeye Name: (3R,5R,8R,9S,10S,13S,14S,17S)-3-[2-(2-methoxyphenyl)ethynyl]-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol CAS Name: (3R,5R,8R,9S,10S,13S,14S,17S)-3-[2-(2-methoxyphenyl)ethynyl]-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol IUPAC Name: (3R,5R,8R,9S,10S,13S,14S,17S)-3-[2-(2-methoxyphenyl)ethynyl]-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol Traditional Name: (3R,5R,8R,9S,10S,13S,14S,17S)-3-[2-(2-methoxyphenyl)ethynyl]-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol Formula: C32H44O4 MolecularWeight: 492.68936

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CCC4C5(OCCO5)C)C)(C#CC6=CC=CC=C6OC)O

Isomeric SMILES

C[C@]12CC[C@@](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C5(OCCO5)C)C)(C#CC6=CC=CC=C6OC)O

InChI

InChI=1S/C32H44O4/c1-29-17-18-32(33,16-13-22-7-5-6-8-27(22)34-4)21-23(29)9-10-24-25-11-12-28(31(3)35-19-20-36-31)30(25,2)15-14-26(24)29/h5-8,23-26,28,33H,9-12,14-15,17-21H2,1-4H3/t23-,24+,25+,26+,28+,29+,30+,32-/m1/s1