(2S,3R,4S,5R,6R)-2-[[(3S,8S,9S,10S,13R,14S,17S)-10,13-dimethyl-17-(3-methylbutyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Systemtic Name: (2S,3R,4S,5R,6R)-2-[[(3S,8S,9S,10S,13R,14S,17S)-10,13-dimethyl-17-(3-methylbutyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane Openeye Name: (2R,3R,4S,5R,6S)-3,4,5-tribenzyloxy-2-(benzyloxymethyl)-6-[[(3S,8S,9S,10S,13R,14S,17S)-17-isopentyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran CAS Name: (2S,3R,4S,5R,6R)-2-[[(3S,8S,9S,10S,13R,14S,17S)-10,13-dimethyl-17-(3-methylbutyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane IUPAC Name: (2S,3R,4S,5R,6R)-2-[[(3S,8S,9S,10S,13R,14S,17S)-10,13-dimethyl-17-(3-methylbutyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane Traditional Name: (2R,3R,4S,5R,6S)-3,4,5-tribenzoxy-2-(benzoxymethyl)-6-[[(3S,8S,9S,10S,13R,14S,17S)-17-isoamyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran Formula: C58H76O6 MolecularWeight: 869.22044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5C(C(C(C(O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)C)C

Isomeric SMILES

CC(C)CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)C)C

InChI

InChI=1S/C58H76O6/c1-41(2)25-26-46-28-30-50-49-29-27-47-35-48(31-33-58(47,4)51(49)32-34-57(46,50)3)63-56-55(62-39-45-23-15-8-16-24-45)54(61-38-44-21-13-7-14-22-44)53(60-37-43-19-11-6-12-20-43)52(64-56)40-59-36-42-17-9-5-10-18-42/h5-24,41,46-56H,25-40H2,1-4H3/t46-,47?,48-,49-,50-,51-,52+,53+,54-,55+,56-,57+,58-/m0/s1