methyl (1R,2S,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,4S,5S,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,5,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-2-(2-oxidanylidenepropyl)-3,4-dihydro-1H-tetracene-1-carboxylate

Systemtic Name: methyl (1R,2S,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,4S,5S,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,5,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-2-(2-oxidanylidenepropyl)-3,4-dihydro-1H-tetracene-1-carboxylate Openeye Name: methyl (1R,2S,4S)-2-acetonyl-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate CAS Name: (1R,2S,4S)-4-[[(2R,4S,5S,6S)-5-[[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,2S,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate Traditional Name: (1R,2S,4S)-2-acetonyl-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2,5,7-trihydroxy-6,11-diketo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester Formula: C37H45NO14 MolecularWeight: 727.7515

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2C(OC(CC2N(C)C)OC3CC(C(C4=C3C(=C5C(=C4)C(=O)C6=C(C5=O)C(=CC=C6)O)O)C(=O)OC)(CC(=O)C)O)C)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N(C)C)O[C@H]3C[C@@]([C@@H](C4=C3C(=C5C(=C4)C(=O)C6=C(C5=O)C(=CC=C6)O)O)C(=O)OC)(CC(=O)C)O)C)O)O

InChI

InChI=1S/C37H45NO14/c1-15(39)13-37(47)14-24(51-25-11-21(38(4)5)35(17(3)50-25)52-26-12-23(41)31(42)16(2)49-26)28-19(30(37)36(46)48-6)10-20-29(34(28)45)33(44)27-18(32(20)43)8-7-9-22(27)40/h7-10,16-17,21,23-26,30-31,35,40-42,45,47H,11-14H2,1-6H3/t16-,17-,21-,23-,24-,25-,26-,30-,31+,35+,37+/m0/s1