(7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-9,11-bis(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-9,11-bis(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9,11-dihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-9,11-dihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9,11-dihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-9,11-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C27H29NO10 MolecularWeight: 527.51986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C2C=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)(C(=O)CO)O)N)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)(C(=O)CO)O)N)O

InChI

InChI=1S/C27H29NO10/c1-11-23(31)16(28)7-20(37-11)38-18-9-27(35,19(30)10-29)8-15-13(18)6-14-22(26(15)34)24(32)12-4-3-5-17(36-2)21(12)25(14)33/h3-6,11,16,18,20,23,29,31,34-35H,7-10,28H2,1-2H3/t11-,16-,18-,20-,23+,27-/m0/s1