methyl (6aR,7S,10aR)-3-[(2S,4S,5R,6R)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-8-methoxy-1-methyl-6a,7,10a,12-tetrakis(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate

Systemtic Name: methyl (6aR,7S,10aR)-3-[(2S,4S,5R,6R)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-8-methoxy-1-methyl-6a,7,10a,12-tetrakis(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate Openeye Name: methyl (6aR,7S,10aR)-3-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate CAS Name: (6aR,7S,10aR)-3-[[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylic acid methyl ester IUPAC Name: methyl (6aR,7S,10aR)-3-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate Traditional Name: (6aR,7S,10aR)-3-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6a,7,10a,12-tetrahydroxy-6,10,11-triketo-8-methoxy-1-methyl-7H-tetracene-2-carboxylic acid methyl ester Formula: C29H30O14 MolecularWeight: 602.5401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2=CC3=CC4=C(C(=C3C(=C2C(=O)OC)C)O)C(=O)C5(C(=O)C=C(C(C5(C4=O)O)O)OC)O)(C)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@@](C[C@@H](O1)OC2=CC3=CC4=C(C(=C3C(=C2C(=O)OC)C)O)C(=O)[C@@]5(C(=O)C=C([C@H]([C@@]5(C4=O)O)O)OC)O)(C)O)O

InChI

InChI=1S/C29H30O14/c1-10-18-12(7-14(19(10)26(36)41-5)43-17-9-27(3,37)22(32)11(2)42-17)6-13-20(21(18)31)25(35)28(38)16(30)8-15(40-4)24(34)29(28,39)23(13)33/h6-8,11,17,22,24,31-32,34,37-39H,9H2,1-5H3/t11-,17+,22-,24-,27+,28-,29-/m1/s1