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(Q104970780)
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English
Oxireno(4,5)cyclodeca(1,2-b)furan-10(2H)-one, 1a,3,6,10a-tetrahydro-1a,5,9-trimethyl-, (1aR,4E,10aR)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
zederone
1 reference
based on heuristic
inferred from SMILES
(5R,8E)-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.03,5]tetradeca-1(11),8,13-trien-2-one
1 reference
based on heuristic
inferred from SMILES
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
CID 101286196
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
CID 71694446
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
5,9,14-Trimethyl-4,12-dioxa-tricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien-2-one
1 reference
based on heuristic
inferred from InChI
Zederone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=C1C2=C(OC=C2C)CC(=CCCC3(OC13)C)C
0 references
isomeric SMILES
C/C1=C\CC[C@@]2(C)O[C@H]2C(=O)c2c(C)coc2C1
0 references
found in taxon
Curcuma zedoaria
2 references
stated in
Sesquiterpenoids. Part XXXVII. Absolute configuration and conformation of zederone, a sesquiterpenoid of Curcuma zedoaria
stated in
Curcumenone, curcumanolide A and curcumanolide B, three sesquiterpenoids from curcuma zedoaria
Identifiers
InChI
InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5+/t14-,15+/m0/s1
0 references
InChIKey
CVIVANCKIBYAOP-KOMYPQRHSA-N
0 references
CAS Registry Number
7727-79-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
134687472
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CVIVANCKIBYAOP-KOMYPQRHSA-N
UniChem compound ID
153171233
1 reference
stated in
UniChem
UNII
LX0KJU7TDS
1 reference
matched by identifier from
InChIKey
InChIKey
CVIVANCKIBYAOP-KOMYPQRHSA-N
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