(1R,4E,7R,10S,11S,13R)-7-[(1E,3E)-4-bromanylbuta-1,3-dienyl]-11-methoxy-13-[(4-methoxyphenyl)methoxy]-2,2,5,10-tetramethyl-8,15-dioxabicyclo[9.3.1]pentadec-4-ene-3,9-dione

Systemtic Name: (1R,4E,7R,10S,11S,13R)-7-[(1E,3E)-4-bromanylbuta-1,3-dienyl]-11-methoxy-13-[(4-methoxyphenyl)methoxy]-2,2,5,10-tetramethyl-8,15-dioxabicyclo[9.3.1]pentadec-4-ene-3,9-dione Openeye Name: (1R,4E,7R,10S,11S,13R)-7-[(1E,3E)-4-bromobuta-1,3-dienyl]-11-methoxy-13-[(4-methoxyphenyl)methoxy]-2,2,5,10-tetramethyl-8,15-dioxabicyclo[9.3.1]pentadec-4-ene-3,9-dione CAS Name: (1R,4E,7R,10S,11S,13R)-7-[(1E,3E)-4-bromobuta-1,3-dienyl]-11-methoxy-13-[(4-methoxyphenyl)methoxy]-2,2,5,10-tetramethyl-8,15-dioxabicyclo[9.3.1]pentadec-4-ene-3,9-dione IUPAC Name: (1R,4E,7R,10S,11S,13R)-7-[(1E,3E)-4-bromobuta-1,3-dienyl]-11-methoxy-13-[(4-methoxyphenyl)methoxy]-2,2,5,10-tetramethyl-8,15-dioxabicyclo[9.3.1]pentadec-4-ene-3,9-dione Traditional Name: (1R,4E,7R,10S,11S,13R)-7-[(1E,3E)-4-bromobuta-1,3-dienyl]-11-methoxy-2,2,5,10-tetramethyl-13-p-anisyloxy-8,15-dioxabicyclo[9.3.1]pentadec-4-ene-3,9-quinone Formula: C30H39BrO7 MolecularWeight: 591.53046

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)OC(CC(=CC(=O)C(C2CC(CC1(O2)OC)OCC3=CC=C(C=C3)OC)(C)C)C)C=CC=CBr

Isomeric SMILES

C[C@@H]1C(=O)O[C@H](C/C(=C/C(=O)C([C@H]2C[C@H](C[C@@]1(O2)OC)OCC3=CC=C(C=C3)OC)(C)C)/C)/C=C/C=C/Br

InChI

InChI=1S/C30H39BrO7/c1-20-15-24(9-7-8-14-31)37-28(33)21(2)30(35-6)18-25(17-27(38-30)29(3,4)26(32)16-20)36-19-22-10-12-23(34-5)13-11-22/h7-14,16,21,24-25,27H,15,17-19H2,1-6H3/b9-7+,14-8+,20-16+/t21-,24+,25-,27-,30+/m1/s1