(Q105276366)

English

4,12,17,21,23,26-Hexachloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,13,16,24-tetrol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

625.917975072 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₁₆Cl₆O₄

0 references

canonical SMILES

ClC1=CC=2C=3C=C(Cl)C(C(Cl)=CC4=CC(Cl)=C(O)C(=C4)C=5C=C(C=C(Cl)C5O)CCC2C=C1O)=C(Cl)C3O

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found in taxon

Bazzania trilobata

2 references

stated in

Chlorinated macrocyclic bisbibenzyls from the liverwort Bazzania trilobata

stated in

Rapid detection of chlorinated bisbibenzyls in Bazzania trilobata using MALDI-TOF mass spectrometry.

Lepidozia incurvata

1 reference

stated in

Bazzanins L-R, chlorinated macrocyclic bisbibenzyls from the liverwort Lepidozia incurvata

Identifiers

InChI

InChI=1S/C28H16Cl6O4/c29-18-9-14-13(8-23(18)35)2-1-11-3-15(26(36)21(32)5-11)16-4-12(7-22(33)27(16)37)6-19(30)24-20(31)10-17(14)28(38)25(24)34/h3-10,35-38H,1-2H2

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InChIKey

UOHJMCMKXCKMRC-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105276366)

4,12,17,21,23,26-Hexachloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,13,16,24-tetrol

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