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(Q105153872)
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English
2-[(1S,3S,6E,10E,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-enyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cembrane
0 references
mass
346.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[(1S,3S,14S)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]prop-2-enyl acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₄O₃
0 references
canonical SMILES
O=C(OCC(=C)C1CCC(=CCCC(=CCCC2(OC2C1)C)C)C)C
0 references
isomeric SMILES
C=C(COC(C)=O)[C@H]1CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)O[C@H]2C1
0 references
found in taxon
Lobophytum crassum
1 reference
stated in
Lobocrassins A-E: new cembrane-type diterpenoids from the soft coral Lobophytum crassum.
Identifiers
InChI
InChI=1S/C22H34O3/c1-16-8-6-9-17(2)11-12-20(18(3)15-24-19(4)23)14-21-22(5,25-21)13-7-10-16/h9-10,20-21H,3,6-8,11-15H2,1-2,4-5H3/b16-10+,17-9+/t20-,21-,22-/m0/s1
0 references
InChIKey
LMCWHVSGFGTINM-ZBHYVCJJSA-N
0 references
PubChem CID
163193335
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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