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

Systemtic Name: methyl (1R,2R,4S)-2-ethyl-4-[(2R,4S,5S,6S)-6-methyl-4-(methylamino)-5-[(2S,4S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxidanylidene-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2,5,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate Openeye Name: methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxo-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate CAS Name: (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[[(2R,4S,5S,6S)-5-[[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2-oxanyl]oxy]-2-oxanyl]oxy]-6-methyl-4-(methylamino)-2-oxanyl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate Traditional Name: (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2R,6S)-5-keto-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-6,11-diketo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester Formula: C41H51NO15 MolecularWeight: 797.84134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)NC)O

Isomeric SMILES

CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)NC)O

InChI

InChI=1S/C41H51NO15/c1-7-41(50)16-27(32-21(34(41)40(49)51-6)13-22-33(37(32)48)36(47)31-20(35(22)46)9-8-10-25(31)44)55-29-14-23(42-5)38(18(3)53-29)57-30-15-26(45)39(19(4)54-30)56-28-12-11-24(43)17(2)52-28/h8-10,13,17-19,23,26-30,34,38-39,42,44-45,48,50H,7,11-12,14-16H2,1-6H3/t17-,18-,19-,23-,26-,27-,28-,29-,30-,34-,38+,39+,41+/m0/s1