(Q105122380)

English

[(1Z,3Z)-1,4-bis[7-bromo-3-(3-bromo-4-hydroxyphenyl)-1-benzofuran-5-yl]-3-sulfooxybuta-1,3-dien-2-yl] hydrogen sulfate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic benzofuran

0 references

mass

973.697316416 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₁₈Br₄O₁₂S₂

0 references

canonical SMILES

O=S(=O)(O)OC(=CC=1C=C(Br)C=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\c1cc(Br)c2occ(-c3ccc(O)c(Br)c3)c2c1)/C(=C/c1cc(Br)c2occ(-c3ccc(O)c(Br)c3)c2c1)OS(=O)(=O)O

1 reference

2 references

Iantheran A, a dimeric polybrominated benzofuran as a Na,K-ATPase inhibitor from a marine sponge,Ianthella sp.

stated in

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

Identifiers

InChI

InChI=1S/C32H18Br4O12S2/c33-23-11-17(1-3-27(23)37)21-13-45-31-19(21)5-15(7-25(31)35)9-29(47-49(39,40)41)30(48-50(42,43)44)10-16-6-20-22(14-46-32(20)26(36)8-16)18-2-4-28(38)24(34)12-18/h1-14,37-38H,(H,39,40,41)(H,42,43,44)/b29-9-,30-10-

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InChIKey

IXPUAYCGIVWSOM-GRJUOOOMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IXPUAYCGIVWSOM-GRJUOOOMSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

IXPUAYCGIVWSOM-GRJUOOOMSA-N

(Q105122380)

[(1Z,3Z)-1,4-bis[7-bromo-3-(3-bromo-4-hydroxyphenyl)-1-benzofuran-5-yl]-3-sulfooxybuta-1,3-dien-2-yl] hydrogen sulfate

Statements

Identifiers

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