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(Q82657104)
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English
(2S,3S,4aR,6R,7S)-6-Bromo-3-chloro-2,5,5-trimethyl-3,4,5,6,7,8-hexahydro-2H-2,4a-ethanonaphthalen-7-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Bromo-9-chloro-2,2,8-trimethyltricyclo[6.2.2.01,6]dodec-6-en-4-ol
1 reference
based on heuristic
inferred from SMILES
mass
332.054255104
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,3R,4S,8R,9S)-3-bromo-9-chloro-2,2,8-trimethyltricyclo[6.2.2.01,6]dodec-6-en-4-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂BrClO
0 references
canonical SMILES
ClC1CC23C(=CC1(C)CC2)CC(O)C(Br)C3(C)C
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isomeric SMILES
C[C@@]12CC[C@@]3(C[C@@H]1Cl)C(=C2)C[C@@H]([C@@H](C3(C)C)Br)O
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found in taxon
Laurencia majuscula
1 reference
stated in
Tropical Marine Algae. III. New Sesquiterpenes From Laurencia majuscula (Rhodophyta, Rhodophyceae, Ceramiales, Rhodomelaceae)
Laurencia
1 reference
stated in
Rhodolaureol and rhodolauradiol, two new halogenated tricyclic sesquiterpenes from a marine alga
Laurencia mariannensis
1 reference
stated in
Diterpenes, sesquiterpenes, and a C15-acetogenin from the marine red alga Laurencia mariannensis.
Laurencia dendroidea
1 reference
stated in
Tropical Marine Algae. III. New Sesquiterpenes From Laurencia majuscula (Rhodophyta, Rhodophyceae, Ceramiales, Rhodomelaceae)
Identifiers
InChI
InChI=1S/C15H22BrClO/c1-13(2)12(16)10(18)6-9-7-14(3)4-5-15(9,13)8-11(14)17/h7,10-12,18H,4-6,8H2,1-3H3/t10-,11-,12-,14-,15+/m0/s1
0 references
InChIKey
GERMJTUOMAFORB-ZCRGAIPPSA-N
0 references
CAS Registry Number
83108-36-5
0 references
PubChem CID
56928098
1 reference
matched by identifier from
InChIKey
InChIKey
GERMJTUOMAFORB-ZCRGAIPPSA-N
ChEBI ID
196342
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H22BrClO/c1-13(2)12(16)10(18)6-9-7-14(3)4-5-15(9,13)8-11(14)17/h7,10-12,18H,4-6,8H2,1-3H3/t10-,11-,12-,14-,15+/m0/s1
UniChem compound ID
43223389
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70718887
1 reference
matched by identifier from
InChIKey
InChIKey
GERMJTUOMAFORB-ZCRGAIPPSA-N
DSSTOX compound identifier
DTXCID20669633
0 references
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