(Q82657102)

English

1-[(2R,5S,9R)-9-Bromo-6,10,10-trimethylspiro[4.5]dec-6-en-2-yl]ethan-1-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(9-Bromo-6,10,10-trimethylspiro[4.5]dec-6-en-3-yl)ethanone

1 reference

based on heuristic

inferred from SMILES

mass

298.093227456 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₃BrO

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canonical SMILES

O=C(C)C1CCC2(C(=CCC(Br)C2(C)C)C)C1

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isomeric SMILES

CC1=CC[C@H](C([C@]12CC[C@H](C2)C(=O)C)(C)C)Br

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found in taxon

Chondrophycus glandulifer

1 reference

stated in

Laurinterol, debromolaurinterol and isolaurinterol, constituents of Laurencia intermedia Yamada

Laurencia nipponica

2 references

stated in

(5S,7R,10R)-selin-4(14)-en-5α-ol, a sesquiterpene alcohol from the red alga Laurencia nipponica

stated in

A New Chamigrane-type Bromo Diether from the Red AlgaLaurencia nipponicaYamada

Identifiers

InChI

InChI=1S/C15H23BrO/c1-10-5-6-13(16)14(3,4)15(10)8-7-12(9-15)11(2)17/h5,12-13H,6-9H2,1-4H3/t12-,13-,15+/m1/s1

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InChIKey

BLWJAUBTYPWLDO-NFAWXSAZSA-N

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0 references

2 references

26 December 2021

matched by identifier from

InChIKey

BLWJAUBTYPWLDO-NFAWXSAZSA-N

ChEBI ID

134189

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H23BrO/c1-10-5-6-13(16)14(3,4)15(10)8-7-12(9-15)11(2)17/h5,12-13H,6-9H2,1-4H3/t12-,13-,15+/m1/s1

1 reference

1 reference

matched by identifier from

InChIKey

BLWJAUBTYPWLDO-NFAWXSAZSA-N

DSSTOX compound identifier

DTXCID00669631

0 references

(Q82657102)

1-[(2R,5S,9R)-9-Bromo-6,10,10-trimethylspiro[4.5]dec-6-en-2-yl]ethan-1-one

Statements

Identifiers

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