(Q113858804)

English

3-(3-bromo-4-hydroxyphenethyl)-7-hydroxy-1,4-bis(4-hydroxyphenyl)pyrrolo[2,3-c]carbazole-2,5(3H,6H)-dione

chemical compound

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chemical compound

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mass

895.786804348 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₁₉Br₃O₁₂S₂

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canonical SMILES

O=S(=O)(O)OC(=CC=1C=CC=2OC=C(C=3C=CC(O)=C(Br)C3)C2C1)C(OS(=O)(=O)O)=CC=4C=C(Br)C=5OC=C(C=6C=CC(O)=C(Br)C6)C5C4

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isomeric SMILES

O=S(=O)(O)OC(=C\c1ccc2occ(-c3ccc(O)c(Br)c3)c2c1)/C(=C/c1cc(Br)c2occ(-c3ccc(O)c(Br)c3)c2c1)OS(=O)(=O)O

1 reference

1 reference

Iantherans A and B, unique dimeric polybrominated benzofurans as Na,K-ATPase inhibitors from a marine sponge, Ianthella sp.

Identifiers

InChI

InChI=1S/C32H19Br3O12S2/c33-24-12-18(2-4-27(24)36)22-14-44-29-6-1-16(7-20(22)29)10-30(46-48(38,39)40)31(47-49(41,42)43)11-17-8-21-23(15-45-32(21)26(35)9-17)19-3-5-28(37)25(34)13-19/h1-15,36-37H,(H,38,39,40)(H,41,42,43)/b30-10-,31-11-

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InChIKey

RPHZQVKMMHPATD-KGNPLMIGSA-N

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(Q113858804)

3-(3-bromo-4-hydroxyphenethyl)-7-hydroxy-1,4-bis(4-hydroxyphenyl)pyrrolo[2,3-c]carbazole-2,5(3H,6H)-dione

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