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(Q105326083)
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English
(1S,2R,5Z,7E,11S,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,7-diene-2,12-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cembrane
0 references
mass
322.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2R,7E,11S,12R)-2,8,12-trimethyl-5-propan-2-yl-15-oxabicyclo[9.3.1]pentadeca-5,7-diene-2,12-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₄O₃
0 references
canonical SMILES
OC1(C)CCC(=CC=C(C)CCC2OC1CCC2(O)C)C(C)C
0 references
isomeric SMILES
C/C1=C\C=C(/C(C)C)CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)[C@H](CC1)O2
0 references
found in taxon
Sarcophyton ehrenbergi
1 reference
stated in
Cembranoids from the octocoral Sarcophyton ehrenbergi.
Identifiers
InChI
InChI=1S/C20H34O3/c1-14(2)16-8-6-15(3)7-9-17-20(5,22)13-11-18(23-17)19(4,21)12-10-16/h6,8,14,17-18,21-22H,7,9-13H2,1-5H3/b15-6+,16-8-/t17-,18-,19+,20+/m0/s1
0 references
InChIKey
XDUYNXQRONXMCE-JBXQYPPTSA-N
0 references
PubChem CID
163188441
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XDUYNXQRONXMCE-JBXQYPPTSA-N
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