(Q105368738)

English

(1R,1'R,2R,4R,4'S,5'S,6S)-4,4'-dibromo-5'-chloro-1,3,3,5'-tetramethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'-cyclohexane]-1'-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,5'-dibromo-4'-chloro-1,3,3,4'-tetramethyl-7-oxaspiro[bicyclo[4.1.0]heptane-2,1'-cyclohexan]-2'-ol

1 reference

based on heuristic

inferred from SMILES

mass

427.975331856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,1'R,2R,4S,4'S,5'S,6R)-4,4'-dibromo-5'-chloro-1,3,3,5'-tetramethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'-cyclohexane]-1'-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₃Br₂ClO₂

0 references

canonical SMILES

ClC1(C)CC(O)C2(CC1Br)C3(OC3CC(Br)C2(C)C)C

0 references

isomeric SMILES

CC1(C)[C@H](Br)C[C@@H]2O[C@]2(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@H]2O

0 references

found in taxon

Laurencia dendroidea

1 reference

stated in

Chamigrane metabolites from Laurencia obtusa and L. scoparia

Laurencia scoparia

1 reference

stated in

Chamigrane metabolites from Laurencia obtusa and L. scoparia

Identifiers

InChI

InChI=1S/C15H23Br2ClO2/c1-12(2)8(16)5-11-14(4,20-11)15(12)6-9(17)13(3,18)7-10(15)19/h8-11,19H,5-7H2,1-4H3/t8-,9+,10-,11+,13+,14+,15+/m1/s1

0 references

InChIKey

YYLQMEPEKFNFNL-CHHOVJGESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YYLQMEPEKFNFNL-CHHOVJGESA-N

(Q105368738)

(1R,1'R,2R,4R,4'S,5'S,6S)-4,4'-dibromo-5'-chloro-1,3,3,5'-tetramethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'-cyclohexane]-1'-ol

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Identifiers

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