[(2R,3R,4S,6R)-3-acetyloxy-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,13R,16S,17R)-16-acetyloxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-[(2R,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-2-methyl-oxan-4-yl] ethanoate

Systemtic Name: [(2R,3R,4S,6R)-3-acetyloxy-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,13R,16S,17R)-16-acetyloxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-[(2R,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-2-methyl-oxan-4-yl] ethanoate Openeye Name: [(2R,3R,4S,6R)-3-acetoxy-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,13R,16S,17R)-16-acetoxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2R,3R,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,13R,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-2-methyl-3-oxanyl]oxy]-2-methyl-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,6R)-3-acetyloxy-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,13R,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate Traditional Name: acetic acid [(2R,3R,4S,6R)-3-acetoxy-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,13R,16S,17R)-16-acetoxy-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-4-yl] ester Formula: C47H70O17 MolecularWeight: 907.0485

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(OC(C2OC3CC(C(C(O3)C)OC(=O)C)OC(=O)C)C)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC(=O)C)O)C)C)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@H](O[C@@H]([C@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)OC(=O)C)OC(=O)C)C)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7(C6(C[C@@H]([C@@H]7C8=CC(=O)OC8)OC(=O)C)O)C)C)O)O

InChI

InChI=1S/C47H70O17/c1-22-42(53)33(51)17-38(56-22)63-35-19-39(57-24(3)44(35)64-40-18-34(59-25(4)48)43(23(2)58-40)61-27(6)50)62-30-11-13-45(7)29(16-30)9-10-32-31(45)12-14-46(8)41(28-15-37(52)55-21-28)36(60-26(5)49)20-47(32,46)54/h15,22-24,29-36,38-44,51,53-54H,9-14,16-21H2,1-8H3/t22-,23-,24-,29-,30+,31+,32-,33+,34+,35+,36+,38-,39-,40-,41+,42-,43-,44-,45+,46-,47?/m1/s1