(Q104916135)

English

(3S,4R,6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-Bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

298.093227456 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,4R,6R)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,4S,6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₃BrO

0 references

canonical SMILES

BrC1C(O)CC(=C)C2(CC=C(C)CC2)C1(C)C

0 references

isomeric SMILES

C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC=C(C)CC2

0 references

found in taxon

Laurencia obtusa

2 references

stated in

Chamigrenelactone, a polyoxygenated sesquiterpene with a novel structural type and devoid of halogen from Laurencia obtusa

stated in

Chamigrane metabolites from Laurencia obtusa and L. scoparia

Laurencia dendroidea

2 references

stated in

Chamigrenelactone, a polyoxygenated sesquiterpene with a novel structural type and devoid of halogen from Laurencia obtusa

stated in

Chamigrane metabolites from Laurencia obtusa and L. scoparia

Identifiers

InChI

InChI=1S/C15H23BrO/c1-10-5-7-15(8-6-10)11(2)9-12(17)13(16)14(15,3)4/h5,12-13,17H,2,6-9H2,1,3-4H3/t12-,13-,15+/m0/s1

0 references

InChIKey

APALGGYWOOAWLG-KCQAQPDRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

APALGGYWOOAWLG-KCQAQPDRSA-N

1 reference

(Q104916135)

(3S,4R,6S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol

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