(3R,5R,8R,9S,10S,13S,14S,17S)-3-[2-(1,3-benzodioxol-5-yl)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-(1,3-benzodioxol-5-yl)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-(1,3-benzodioxol-5-yl)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-(1,3-benzodioxol-5-yl)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-(1,3-benzodioxol-5-yl)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-(1,3-benzodioxol-5-yl)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: C32H42O5 MolecularWeight: 506.67288

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CCC4C5(OCCO5)C)C)(C#CC6=CC7=C(C=C6)OCO7)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=CC7=C(C=C6)OCO7)O

InChI

InChI=1S/C32H42O5/c1-29-14-15-32(33,13-10-21-4-8-26-27(18-21)35-20-34-26)19-22(29)5-6-23-24-7-9-28(31(3)36-16-17-37-31)30(24,2)12-11-25(23)29/h4,8,18,22-25,28,33H,5-7,9,11-12,14-17,19-20H2,1-3H3/t22-,23+,24+,25+,28+,29+,30+,32-/m1/s1