(2S,3S,4S,5R,6S)-6-[[(7R,8R,10S)-8-ethyl-7-methoxycarbonyl-6,8,10,11-tetrakis(oxidanyl)-5,12-bis(oxidanylidene)-9,10-dihydro-7H-tetracen-1-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[[(7R,8R,10S)-8-ethyl-7-methoxycarbonyl-6,8,10,11-tetrakis(oxidanyl)-5,12-bis(oxidanylidene)-9,10-dihydro-7H-tetracen-1-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[[(7R,8R,10S)-8-ethyl-6,8,10,11-tetrahydroxy-7-methoxycarbonyl-5,12-dioxo-9,10-dihydro-7H-tetracen-1-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[[(7R,8R,10S)-8-ethyl-6,8,10,11-tetrahydroxy-7-methoxycarbonyl-5,12-dioxo-9,10-dihydro-7H-tetracen-1-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[[(7R,8R,10S)-8-ethyl-6,8,10,11-tetrahydroxy-7-methoxycarbonyl-5,12-dioxo-9,10-dihydro-7H-tetracen-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[[(7R,8R,10S)-7-carbomethoxy-8-ethyl-6,8,10,11-tetrahydroxy-5,12-diketo-9,10-dihydro-7H-tetracen-1-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C28H28O15 MolecularWeight: 604.51292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(C3=C(C(=C2C1C(=O)OC)O)C(=O)C4=C(C3=O)C(=CC=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O)O

Isomeric SMILES

CC[C@]1(C[C@@H](C2=C(C3=C(C(=C2[C@H]1C(=O)OC)O)C(=O)C4=C(C3=O)C(=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)O)O

InChI

InChI=1S/C28H28O15/c1-3-28(40)7-9(29)12-13(16(28)26(39)41-2)20(33)14-15(19(12)32)18(31)11-8(17(14)30)5-4-6-10(11)42-27-23(36)21(34)22(35)24(43-27)25(37)38/h4-6,9,16,21-24,27,29,32-36,40H,3,7H2,1-2H3,(H,37,38)/t9-,16-,21-,22-,23+,24-,27+,28+/m0/s1