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

Systemtic Name: methyl (1R,2R,4S)-4-[(2R,4S,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-methyl-2,5,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate Openeye Name: methyl (1R,2R,4S)-4-[(2R,4S,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-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate CAS Name: (1R,2R,4S)-4-[[(2R,4S,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-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4S)-4-[(2R,4S,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-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate Traditional Name: (1R,2R,4S)-4-[(2R,4S,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-2-methyl-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester Formula: C41H53NO14 MolecularWeight: 783.85782

Click to see the large picture

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)(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)OC3[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)(C)O)C)O

InChI

InChI=1S/C41H53NO14/c1-18-25(43)11-13-29(51-18)54-27-12-14-30(52-19(27)2)56-39-20(3)53-31(16-24(39)42(5)6)55-28-17-41(4,49)35(40(48)50-7)22-15-23-34(38(47)33(22)28)37(46)32-21(36(23)45)9-8-10-26(32)44/h8-10,15,18-20,24-25,27-31,35,39,43-44,47,49H,11-14,16-17H2,1-7H3/t18-,19-,20-,24-,25-,27-,28-,29-,30-,31-,35-,39?,41+/m0/s1