(Q82983101)

English

Spiro(5.5)undec-3-en-1-one, 4,8-dibromo-9-chloro-2,5,5,9-tetramethyl-, (2R,6S,8R,9R)-rel-(+)-

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,10-Dibromo-9-chloro-2,5,5,9-tetramethylspiro[5.5]undec-3-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

409.964767172 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

(2S,6R,9S,10S)-4,10-dibromo-9-chloro-2,5,5,9-tetramethylspiro[5.5]undec-3-en-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₁Br₂ClO

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canonical SMILES

O=C1C(C=C(Br)C(C)(C)C12CCC(Cl)(C)C(Br)C2)C

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isomeric SMILES

C[C@@H]1C=C(C([C@]2(C1=O)CC[C@@]([C@@H](C2)Br)(C)Cl)(C)C)Br

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found in taxon

Laurencia pacifica

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stated in

Kylinone, a new sesquiterpene skeleton from the marine alga Laurencia pacifica

Identifiers

InChI

InChI=1S/C15H21Br2ClO/c1-9-7-10(16)13(2,3)15(12(9)19)6-5-14(4,18)11(17)8-15/h7,9,11H,5-6,8H2,1-4H3/t9-,11-,14-,15-/m1/s1

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InChIKey

HMWLZIQJSYGFHO-NZQZLILVSA-N

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matched by identifier from

InChIKey

HMWLZIQJSYGFHO-NZQZLILVSA-N

1 reference

1 reference

matched by identifier from

InChIKey

HMWLZIQJSYGFHO-NZQZLILVSA-N

DSSTOX compound identifier

DTXCID701419790

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(Q82983101)

Spiro(5.5)undec-3-en-1-one, 4,8-dibromo-9-chloro-2,5,5,9-tetramethyl-, (2R,6S,8R,9R)-rel-(+)-

Statements

Identifiers

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