[2-[(2S,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] octanoate

Systemtic Name: [2-[(2S,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] octanoate Openeye Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] octanoate CAS Name: octanoic acid [2-[(2S,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] octanoate Traditional Name: caprylic acid [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-6,11-diketo-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]-2-keto-ethyl] ester Formula: C35H43NO12 MolecularWeight: 669.71542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)N)O

Isomeric SMILES

CCCCCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)N)O

InChI

InChI=1S/C35H43NO12/c1-4-5-6-7-8-12-24(38)46-16-23(37)35(44)14-19-27(22(15-35)48-25-13-20(36)30(39)17(2)47-25)34(43)29-28(32(19)41)31(40)18-10-9-11-21(45-3)26(18)33(29)42/h9-11,17,20,22,25,30,39,41,43-44H,4-8,12-16,36H2,1-3H3/t17?,20?,22-,25?,30?,35-/m0/s1