methyl (1R,2S,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-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,5S,6S)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-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)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-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)-4-(dimethylamino)-5-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-hydroxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-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)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-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)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,7-trihydroxy-6,11-diketo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester Formula: C43H55NO15 MolecularWeight: 825.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(O1)OC2CCC(OC2C)OC3C(OC(CC3N(C)C)OC4CC(C(C5=C4C(=C6C(=C5)C(=O)C7=C(C6=O)C(=CC=C7)O)O)C(=O)OC)(CC(=O)C)O)C)O

Isomeric SMILES

C[C@H]1[C@H](CC[C@@H](O1)O[C@H]2CC[C@@H](O[C@H]2C)O[C@@H]3[C@@H](O[C@H](C[C@@H]3N(C)C)O[C@H]4C[C@@]([C@@H](C5=C4C(=C6C(=C5)C(=O)C7=C(C6=O)C(=CC=C7)O)O)C(=O)OC)(CC(=O)C)O)C)O

InChI

InChI=1S/C43H55NO15/c1-19(45)17-43(52)18-30(35-24(37(43)42(51)53-7)15-25-36(40(35)50)39(49)34-23(38(25)48)9-8-10-28(34)47)58-33-16-26(44(5)6)41(22(4)56-33)59-32-14-12-29(21(3)55-32)57-31-13-11-27(46)20(2)54-31/h8-10,15,20-22,26-27,29-33,37,41,46-47,50,52H,11-14,16-18H2,1-7H3/t20-,21-,22-,26-,27-,29-,30-,31-,32-,33-,37-,41+,43+/m0/s1