(Q27151436)

Plocamene C (English)

(1R,2R,4S,5R)-1-bromo-4,5-dichloro-2-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane

9 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₀H₁₄BrCl₃

1 reference

Plocamene C (English)

9 October 2016

canonical SMILES

CC1(CC(C(CC1C=CCl)Cl)(C)Cl)Br

1 reference

Plocamene C (English)

9 October 2016

isomeric SMILES

C[C@]1(C[C@@]([C@H](C[C@H]1/C=C/Cl)Cl)(C)Cl)Br

1 reference

Phytochemical analysis of the Southern Australian marine alga, Plocamium mertensii using HPLC-NMR.

Plocamene C (English)

9 October 2016

1 reference

Plocamium cartilagineum

1 reference

stated in

Polyhalogenated monoterpenes from plocamium cartilagineum from the british coast

Identifiers

InChI

InChI=1S/C10H14BrCl3/c1-9(11)6-10(2,14)8(13)5-7(9)3-4-12/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8+,9-,10-/m1/s1

1 reference

Plocamene C (English)

9 October 2016

2 references

Plocamene C (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

https://commonchemistry.cas.org/detail?cas_rn=57566-88-8

Plocamene C (English)

9 October 2016

7 April 2021

1 reference

Plocamene C (English)

9 October 2016

2 references

Plocamene C (English)

matched by identifier from

9 October 2016

ChEBI ID

80935

mapping relation type

2 references

Plocamene C (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C10H14BrCl3/c1-9(11)6-10(2,14)8(13)5-7(9)3-4-12/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8+,9-,10-/m1/s1

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

DSSTOX compound identifier

0 references

1 reference

Plocamene C (English)

9 October 2016

1 reference

Plocamene C (English)