(Q104924501)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5'-bromo-4'-chloro-1,4,4'-trimethyl-3-methylidene-7-oxaspiro[bicyclo[4.1.0]heptane-2,1'-cyclohexan]-2'-ol

1 reference

based on heuristic

inferred from SMILES

mass

348.049169724 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂BrClO₂

0 references

canonical SMILES

ClC1(C)CC(O)C2(C(=C)C(C)CC3OC32C)CC1Br

0 references

isomeric SMILES

C=C1[C@H](C)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/C15H22BrClO2/c1-8-5-12-14(4,19-12)15(9(8)2)6-10(16)13(3,17)7-11(15)18/h8,10-12,18H,2,5-7H2,1,3-4H3/t8-,10+,11-,12+,13+,14+,15-/m1/s1

0 references

InChIKey

BDOIVSNOYYRVKL-LJYYEHPYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BDOIVSNOYYRVKL-LJYYEHPYSA-N

(Q104924501)

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

Statements

Identifiers

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