(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4,6,9,10-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4,6,9,10-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7S,9R,10R)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C26H29NO9 MolecularWeight: 499.50976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(C1O)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)O)N)O

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO9/c1-3-26(34)9-16(36-17-8-14(27)21(29)10(2)35-17)19-13(25(26)33)7-12-20(24(19)32)23(31)18-11(22(12)30)5-4-6-15(18)28/h4-7,10,14,16-17,21,25,28-29,32-34H,3,8-9,27H2,1-2H3/t10-,14-,16-,17-,21+,25+,26+/m0/s1