(3R,7R,9Z,14S,15S,16R)-7-(1,2-dimethylbenzimidazol-5-yl)-2,2,3,10,14,15-hexakis(oxidanyl)-16-prop-2-enyl-cyclohexadec-9-ene-1,5-dione

Systemtic Name: (3R,7R,9Z,14S,15S,16R)-7-(1,2-dimethylbenzimidazol-5-yl)-2,2,3,10,14,15-hexakis(oxidanyl)-16-prop-2-enyl-cyclohexadec-9-ene-1,5-dione Openeye Name: (3R,7R,9Z,14S,15S,16R)-16-allyl-7-(1,2-dimethylbenzimidazol-5-yl)-2,2,3,10,14,15-hexahydroxy-cyclohexadec-9-ene-1,5-dione CAS Name: (3R,7R,9Z,14S,15S,16R)-7-(1,2-dimethyl-5-benzimidazolyl)-2,2,3,10,14,15-hexahydroxy-16-prop-2-enylcyclohexadec-9-ene-1,5-dione IUPAC Name: (3R,7R,9Z,14S,15S,16R)-7-(1,2-dimethylbenzimidazol-5-yl)-2,2,3,10,14,15-hexahydroxy-16-prop-2-enylcyclohexadec-9-ene-1,5-dione Traditional Name: (3R,7R,9Z,14S,15S,16R)-16-allyl-7-(1,2-dimethylbenzimidazol-5-yl)-2,2,3,10,14,15-hexahydroxy-cyclohexadec-9-ene-1,5-quinone Formula: C28H38N2O8 MolecularWeight: 530.60992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C)C=CC(=C2)C3CC=C(CCCC(C(C(C(=O)C(C(CC(=O)C3)O)(O)O)CC=C)O)O)O

Isomeric SMILES

CC1=NC2=C(N1C)C=CC(=C2)[C@@H]3C/C=C(/CCC[C@@H]([C@H]([C@H](C(=O)C([C@@H](CC(=O)C3)O)(O)O)CC=C)O)O)\O

InChI

InChI=1S/C28H38N2O8/c1-4-6-21-26(35)24(33)8-5-7-19(31)11-9-17(13-20(32)15-25(34)28(37,38)27(21)36)18-10-12-23-22(14-18)29-16(2)30(23)3/h4,10-12,14,17,21,24-26,31,33-35,37-38H,1,5-9,13,15H2,2-3H3/b19-11-/t17-,21-,24+,25-,26+/m1/s1