(2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2R,4S,5R,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-ethyl-2,5,7-tris(oxidanyl)-3,4-dihydrotetracene-1,6,11-trione

Systemtic Name: (2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2R,4S,5R,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-ethyl-2,5,7-tris(oxidanyl)-3,4-dihydrotetracene-1,6,11-trione Openeye Name: (2R,4S)-4-[(2R,4S,5S,6S)-5-[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-3,4-dihydrotetracene-1,6,11-trione CAS Name: (2R,4S)-4-[[(2R,4S,5S,6S)-5-[[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-2-ethyl-2,5,7-trihydroxy-3,4-dihydrotetracene-1,6,11-trione IUPAC Name: (2R,4S)-4-[(2R,4S,5S,6S)-5-[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-3,4-dihydrotetracene-1,6,11-trione Traditional Name: (2R,4S)-4-[(2R,4S,5S,6S)-5-[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-3,4-dihydrotetracene-1,6,11-trione Formula: C34H41NO12 MolecularWeight: 655.68884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(C1=O)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)O)N(C)C)O

Isomeric SMILES

CC[C@]1(C[C@@H](C2=C(C1=O)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)O)N(C)C)O

InChI

InChI=1S/C34H41NO12/c1-6-34(43)13-22(46-23-11-19(35(4)5)32(15(3)45-23)47-24-12-21(37)28(38)14(2)44-24)26-18(33(34)42)10-17-27(31(26)41)30(40)25-16(29(17)39)8-7-9-20(25)36/h7-10,14-15,19,21-24,28,32,36-38,41,43H,6,11-13H2,1-5H3/t14-,15-,19-,21-,22-,23-,24+,28-,32+,34+/m0/s1