calcium 7-(4-aminocarbonyloxy-5-methoxy-6,6-dimethyl-3-oxidanyl-oxan-2-yl)oxy-8-methyl-3-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]carbonylamino]-4-oxidanylidene-chromen-2-olate

Systemtic Name: calcium 7-(4-aminocarbonyloxy-5-methoxy-6,6-dimethyl-3-oxidanyl-oxan-2-yl)oxy-8-methyl-3-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]carbonylamino]-4-oxidanylidene-chromen-2-olate Openeye Name: calcium 7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxo-chromen-2-olate CAS Name: calcium 7-[(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-2-oxanyl)oxy]-3-[[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-oxomethyl]amino]-8-methyl-4-oxo-1-benzopyran-2-olate IUPAC Name: calcium 7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxochromen-2-olate Traditional Name: calcium 7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-4-keto-8-methyl-chromen-2-olate Formula: C31H35CaN2O11+ MolecularWeight: 651.6944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)[O-])OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O.[Ca+2]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)[O-])OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O.[Ca+2]

InChI

InChI=1S/C31H36N2O11.Ca/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34,36,38H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+2/p-1