(2R,8R,9S,10S,13R,14S,16S,17R)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-[(2R)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-2-oxidanyl-3-oxidanylidene-heptan-2-yl]-4,4,9,13,14-pentamethyl-16-oxidanyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

Systemtic Name: (2R,8R,9S,10S,13R,14S,16S,17R)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-[(2R)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-2-oxidanyl-3-oxidanylidene-heptan-2-yl]-4,4,9,13,14-pentamethyl-16-oxidanyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione Openeye Name: (2R,8R,9S,10S,13R,14S,16S,17R)-16-hydroxy-17-[(1R)-1-hydroxy-1,5-dimethyl-2-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexyl]-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione CAS Name: (2R,8R,9S,10S,13R,14S,16S,17R)-16-hydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxo-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]heptan-2-yl]-4,4,9,13,14-pentamethyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione IUPAC Name: (2R,8R,9S,10S,13R,14S,16S,17R)-16-hydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione Traditional Name: (2R,8R,9S,10S,13R,14S,16S,17R)-16-hydroxy-17-[(1R)-1-hydroxy-2-keto-1,5-dimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexyl]-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-quinone Formula: C42H66O17 MolecularWeight: 842.96324

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(=O)CCC(C)(C)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)C

Isomeric SMILES

C[C@@]12C[C@@H]([C@@H]([C@]1(CC(=O)[C@]3([C@@H]2CC=C4[C@@H]3C[C@H](C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@](C)(C(=O)CCC(C)(C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O

InChI

InChI=1S/C42H66O17/c1-37(2,59-36-32(53)30(51)28(49)23(17-44)58-36)12-11-25(46)42(8,55)33-20(45)14-39(5)24-10-9-18-19(41(24,7)26(47)15-40(33,39)6)13-21(34(54)38(18,3)4)56-35-31(52)29(50)27(48)22(16-43)57-35/h9,19-24,27-33,35-36,43-45,48-53,55H,10-17H2,1-8H3/t19-,20-,21+,22+,23+,24+,27+,28+,29-,30-,31+,32+,33-,35+,36-,39-,40+,41+,42-/m0/s1