(3R,4S,5S)-2-[5,11-dimethyl-9-[(3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6H-pyrido[4,3-b]carbazol-2-ium-2-yl]oxane-3,4,5-triol ethanoate

Systemtic Name: (3R,4S,5S)-2-[5,11-dimethyl-9-[(3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6H-pyrido[4,3-b]carbazol-2-ium-2-yl]oxane-3,4,5-triol ethanoate Openeye Name: (3R,4S,5S)-2-[5,11-dimethyl-9-[(3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-6H-pyrido[4,3-b]carbazol-2-ium-2-yl]tetrahydropyran-3,4,5-triol acetate CAS Name: (3R,4S,5S)-2-[5,11-dimethyl-9-[[(3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxy]-6H-pyrido[4,3-b]carbazol-2-ium-2-yl]oxane-3,4,5-triol acetate IUPAC Name: (3R,4S,5S)-2-[5,11-dimethyl-9-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-6H-pyrido[4,3-b]carbazol-2-ium-2-yl]oxane-3,4,5-triol acetate Traditional Name: (3R,4S,5S)-2-[5,11-dimethyl-9-[(3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-6H-pyrido[4,3-b]carbazol-2-ium-2-yl]tetrahydropyran-3,4,5-triol acetate Formula: C29H34N2O11 MolecularWeight: 586.58706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)C4C(C(C(CO4)O)O)O)C)C5=C(N2)C=CC(=C5)OC6C(C(C(CO6)O)O)O.CC(=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)C4[C@@H]([C@H]([C@H](CO4)O)O)O)C)C5=C(N2)C=CC(=C5)OC6[C@@H]([C@H]([C@H](CO6)O)O)O.CC(=O)[O-]

InChI

InChI=1S/C27H30N2O9.C2H4O2/c1-11-16-8-29(26-24(34)22(32)18(30)9-36-26)6-5-14(16)12(2)21-20(11)15-7-13(3-4-17(15)28-21)38-27-25(35)23(33)19(31)10-37-27;1-2(3)4/h3-8,18-19,22-27,30-35H,9-10H2,1-2H3;1H3,(H,3,4)/t18-,19-,22-,23-,24+,25+,26?,27?;/m0./s1