methyl (1R,2R,4S)-2-ethyl-4-[(2R,4S,5R,6S)-6-methyl-4,5-bis(oxidanyl)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,5R,6S)-6-methyl-4,5-bis(oxidanyl)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)-4-[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate CAS Name: (1R,2R,4S)-4-[[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4S)-4-[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate Traditional Name: (1R,2R,4S)-4-[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-diketo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester Formula: C28H30O11 MolecularWeight: 542.5312

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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)O)O)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)O)O

InChI

InChI=1S/C28H30O11/c1-4-28(36)10-17(39-18-9-16(30)23(31)11(2)38-18)20-13(22(28)27(35)37-3)8-14-21(26(20)34)25(33)19-12(24(14)32)6-5-7-15(19)29/h5-8,11,16-18,22-23,29-31,34,36H,4,9-10H2,1-3H3/t11-,16-,17-,18-,22-,23-,28+/m0/s1