[3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] N-[2-[3-(3-iodanyl-4-oxidanyl-phenyl)propanoylamino]ethyl]carbamate

Systemtic Name: [3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] N-[2-[3-(3-iodanyl-4-oxidanyl-phenyl)propanoylamino]ethyl]carbamate Openeye Name: (6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl) N-[2-[3-(4-hydroxy-3-iodanyl-phenyl)propanoylamino]ethyl]carbamate CAS Name: N-[2-[[3-(4-hydroxy-3-iodanylphenyl)-1-oxopropyl]amino]ethyl]carbamic acid (3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl) ester IUPAC Name: (3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl) N-[2-[3-(4-hydroxy-3-iodanylphenyl)propanoylamino]ethyl]carbamate Traditional Name: N-[2-[3-(4-hydroxy-3-iodanyl-phenyl)propanoylamino]ethyl]carbamic acid (6,10,10b-trihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl) ester Formula: C32H45IN2O9 MolecularWeight: 726.612324

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OC(=O)NCCNC(=O)CCC4=CC(=C(C=C4)O)I)O)C)O)C

Isomeric SMILES

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OC(=O)NCCNC(=O)CCC4=CC(=C(C=C4)O)[125I])O)C)O)C

InChI

InChI=1S/C32H45IN2O9/c1-7-29(4)17-22(38)32(42)30(5)21(37)12-13-28(2,3)25(30)24(40)26(31(32,6)44-29)43-27(41)35-15-14-34-23(39)11-9-18-8-10-20(36)19(33)16-18/h7-8,10,16,21,24-26,36-37,40,42H,1,9,11-15,17H2,2-6H3,(H,34,39)(H,35,41)/i33-2