(Q105030715)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₁Br₂ClO

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

0 references

found in taxon

Laurencia pacifica

1 reference

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-/m0/s1

0 references

InChIKey

HMWLZIQJSYGFHO-YIVQXAGMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HMWLZIQJSYGFHO-YIVQXAGMSA-N

ChEBI ID

138817

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

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-/m0/s1

(Q105030715)

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

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